Microfabrication Based Design and Simulation of Heterojunction Solar Cell

ÇUKUROVA UNIVERSITY
INSTITUTE OF NATURAL AND APPLIED SCIENCES
MSc THESIS
Faruk KÜRKER
MICROFABRICATION BASED DESIGN AND SIMULATION OF

HETEROJUNCTION SOLAR CELL
DEPARTMENT OF COMPUTER ENGINEERING
ADANA, 2010
ÇUKUROVA UNIVERSITY

Faruk KÜRKER
MSc THESIS
We certify that the thesis titled above was reviewed and approved for the award of
degree of the Master of Science by the board of jury on 21 / 09 / 2010.
……………….................... ………………………......... …….......................................

Asst.Prof.Dr. Mutlu AVCI Asst.Prof.Dr. Murat AKSOY Asst.Prof.Dr. Ramazan ÇOBAN
SUPERVISOR MEMBER MEMBER
This MSc Thesis is written at the Department of Institute of Natural And Applied
Sciences of Çukurova University.
Registration Number:
Prof. Dr. İlhami YEĞİNGİL

Director
Institute of Natural and Applied Sciences
Not:The usage of the presented specific declerations, tables, figures, and photographs either in this
thesis or in any other reference without citiation is subject to "The law of Arts and
Intellectual Products" number of 5846 of Turkish Republic
ABSTRACT
MSc THESIS

Faruk KÜRKER
CUKUROVA UNIVERSITY
Supervisor : Assist.Prof.Dr. Mutlu AVCI

Year : 2010, Pages: 100
Jury : Asst.Prof.Dr. Mutlu AVCI
: Asst.Prof.Dr. Murat AKSOY
: Asst.Prof.Dr. Ramazan ÇOBAN
Solar cells outweigh all these energy sources due to their small weight and
their relatively high power density. Advances in semiconductor design and
fabrication are very rapid and everyday provide new ideas and means for improving
cell performance.
In this thesis, investigates the potential use of InP/InGaAs/AlGaAs as
photovoltaic material. Method for developing realistic simulation models of
advanced solar cells is presented. Silvaco Atlas was used to simulate heterojunction
solar cell. Electrical and optical properties of different materials are researched for
such designs. The findings of this research show that InP/InGaAs/AlGaAs is a
promising semiconductor for solar cell use.
Key Words: Solar cell, photovoltaic device, heterojunction, Silvaco Atlas.
I
ÖZ
YÜKSEK LİSANS TEZİ
HETEROJONKSİYON GÜNEŞ PİLİNİN TASARIMI VE

MİKROFABRİKASYON TABANLI BENZETİMİ
Faruk KÜRKER
ÇUKUROVA ÜNİVERSİTESİ
FEN BİLİMLERİ ENSTİTÜSÜ
BİLGİSAYAR MÜHENDİSLİĞİ ANABİLİM DALI
Danışman : Yrd. Doç. Dr. Mutlu AVCI

Yıl: 2010, Sayfa: 100
Jüri : Yrd. Doç. Dr. Mutlu AVCI
: Yrd. Doç. Dr. Murat AKSOY
: Yrd. Doç. Dr. Ramazan ÇOBAN
Güneş pilleri küçük ağırlıkları ve yüksek miktardaki güç yoğunluğundan

dolayı diğer enerji kaynaklarından daha önemlidir. Yarı iletkenlerin dizaynı ve
fabrikasyondaki gelişimi çok hızlıdır ve hemen hemen her gün yeni bir fikirle
karşılaşabiliriz ve buda gittikçe gelişen hücre performansı anlamına gelebilir. Bu
tezde, fotovoltaik malzeme olarak InP/InGaAs/AlGaAs potansiyel kullanımı
araştırılmaktadır. Gelişmiş güneş hücreleri gerçekçi simülasyon modelleri
geliştirmek için yöntem sunulmaktadır. Silvaco Atlas heterojunction güneş hücresini
simüle etmek için kullanılmıştır. Farklı malzemelerin elektriksel ve optik özellikleri
örnek dizaynlar için incelenmiştir. Bu araştırma bulguları InP/InGaAs/AlGaAs güneş
pili kullanımı için umut verici bir yarı iletkendir.
Anahtar Kelimeler: Güneş pili, fotovoltaik aygıt, heterojonksiyon, Silvaco Atlas.
II
ACKNOWLEDGEMENTS
I would like to thank my supervisor Assist.Prof.Dr. Mutlu AVCI for his helps
and advices. Also, I would like to thank Electronics Engineer Mr. Bülent
BÜYÜKGÜZEL for his help and patience.
During all this work, my beloved wife and my family supported me with their
patience, helps and hearts. This thesis is dedicated to Efdal Zahid, Dilnur Gülsüm
and Emine with all my heart.
III
CONTENTS PAGE
ABSTRACT ......................................................................................................... I
ÖZ ....................................................................................................................... II
ACKNOWLEDGEMENTS ............................................................................... III
CONTENTS ................................................................................................... IV
LIST OF TABLES........................................................................................... VIII
LIST OF FIGURES .............................................................................................X
LIST OF ABBREVIATONS .......................................................................... XIV
l. INTRODUCTION ............................................................................................ 1
1.1. Basic of Semiconductor Physics ................................................................ 2
1.1.1. Classification of Materials ............................................................ 2
1.1.2. Atomic Structure .......................................................................... 3
1.1.3. Electrons and holes ....................................................................... 8
1.1.4. Direct and Indirect Band Gaps ................................................... 10
1.1.5. Fermi Level ............................................................................... 11
1.2. Solar Cell Fundamentals ....................................................................... 13
1.2.1. The Photovoltaic Effect .............................................................. 14
1.2.1.1. The Electromagnetic Spectrum .............................................. 16
1.2.1.2. Band Gap ................................................................................ 17
1.2.1.3. Solar Cell Junctions .................................................................19
1.2.1.4. Lattice Matching ..................................................................... 20
1.2.1.5. AM0 Spectrum ........................................................................22
1.2.1.6. Current-Voltage Curves .......................................................... 24
1.2.1.7. Electrical Output ..................................................................... 25
1.3. Heterojunctions ......................................................................................26
2. PREVIOUS WORK ....................................................................................... 31
3. MATERIAL AND METHOD........................................................................ 41
3.1. Materials ................................................................................................41
3.1.1. Ge (Germanium)..........................................................................42
3.1.1.1 Basic Information about Ge .....................................................42
IV
3.1.2. InP (Indium Phosphorus) .............................................................46
3.1.2.1. Basic Information about Indium ................................................46
3.1.2.2. Basic Information about Phosphorus .........................................46
3.1.3. InGaAs (Indium Gallium Arsenic) ...............................................48
3.1.3.1. Basic Information about Gallium...............................................48
3.1.3.2. Basic Information about Arsenic ..............................................48
3.1.4. AlGaAs (Aluminium Gallium Arsenic)........................................49
3.1.4.1. Basic Information about Aluminum ..........................................49
3.1.5. AlInGaP(=InAlAsP)(Aluminium Indium Gallium Phosphorus) ...51
3.2. TCAD Simulation Environment .............................................................. 52
3.2.1. Silvaco Atlas Simulation Software ............................................. 54
3.2.2. Silvaco Atlas ............................................................................. 55
3.2.3. Input File Structure......................................................................55
3.3. Structure Specification ............................................................................ 57
3.3.1. Mesh .......................................................................................... 57
3.3.2. Region ........................................................................................ 58
3.3.3. Electrodes....................................................................................60
3.3.4. Doping ....................................................................................... 61
3.3.5. Materials Model Specification ................................................... 61
3.3.5.1. Material ....................................................................................62
3.3.6. Models ....................................................................................... 62
3.3.7. Light .......................................................................................... 63
3.3.8. Contact ....................................................................................... 63
3.3.9. Numerical Method Selection ...................................................... 63
3.3.10. Solution Specification .............................................................. 65
3.3.10.1. Log ........................................................................................ 65
3.3.10.2. Solve .................................................................................... 65
3.3.10.3. Load and Save ....................................................................... 66
3.3.11. Result Analysis ........................................................................ 66
3.4. Simple Simulation Source Code ............................................................. 68
3.4.1. Silvaco Library .......................................................................... 70
V
4. RESEARCH AND DISCUSSION ................................................................. 71
4.1. The Simple InP Cell ................................................................................71
4.2. Heterojunction Cell .................................................................................76
5. CONCLUSION ............................................................................................. 81
6. REFERENCES.............................................................................................. 83
7. CURRICULUM VITAE ................................................................................ 87
8. APPENDIX ................................................................................................... 89
VI
VII
LIST OF TABLES PAGE
Table 1.1. Electron Configuration of IIIA, IVA, VA Group Elements ................... 5-6
Table 1.2. Definitions of n and p ........................................................................... 9
Table 1.3. Intrinsic carrier concentration at room temperature (300K) ................... 10
Table 1.4. Notable events in the history of photovoltaics ....................................... 15
Table 1.5. Approximate wavelength of various colors in vacuum .......................... 17
Table 1.6. Common semiconductor band gaps ...................................................... 17
Table 3.1. Material Defaults for semiconductors ................................................... 42
Table 3.2. Silvaco Atlas physical models .............................................................. 55
VIII
IX
LIST OF FIGURE PAGE
Figure1.1. Materials classified by conductivity........................................................ 2

Figure1.2. Partial periodic table ............................................................................... 3
Figure1.3. Order of electron shell filling.................................................................. 4
Figure1.4. Silicon Electron Shell Diagram............................................................... 5
Figure1.5. Covalent bonds of Si atom...................................................................... 7
Figure1.6. Band gap diagrams ................................................................................. 8
Figure1.7. Structure of n-type and p-type doping .................................................... 9
Figure1.8. Direct and indirect band gaps ............................................................... 11
Figure1.9. Fermi distribution ................................................................................. 12
Figure1.10. Fermi level: intrinsic case ................................................................... 13
Figure1.11. Fermi level: n-type case ...................................................................... 13
Figure1.12. Fermi level: p-type case ...................................................................... 13
Figure1.13. The electromagnetic spectrum............................................................. 16
Figure1.14. Effect of light energy on different band gaps ....................................... 19
Figure1.15. Simple cubic lattice structure .............................................................. 20
Figure1.16. Lattice constants ................................................................................. 21
Figure1.17. AM0 spectrum (Wavelength vs Irradiance) ......................................... 23
Figure1.18. AM0 spectrum (Energy vs Irradiance)................................................. 23
Figure1.19. Sample IV curve used in efficiency calculations .................................. 24
Figure1.20. Solar cell IV characteristic .................................................................. 26
Figure1.21. Crystal dislocation in heterojunction ................................................... 27
Figure1.22. Band diagram of heterojunction formations ......................................... 28
Figure1.23.Band diagram of superlattice formation (a) undoped and (b) AlGaAs
doped ................................................................................................... 29
Figure 2.1. Optimized multi-junction solar cell (InGaP/GaAs) I-V curve ............... 32
Figure 2.2. Quad-junction InGaN solar cell IV curve ............................................. 33
Figure 2.3. I-V curve based on new bases discovered in smaller iteration test at
300 K ................................................................................................... 34
Figure 2.4. IV characteristic of the prototype triple MJ cell .................................... 35
X
Figure 2.5. IV characteristic of Si solar cell............................................................ 36
Figure 2.6. I-V characteristics of InGaP/GaAs/InGaNAs/Ge cell. .......................... 37
Figure 2.7. I-V Curve of 36.28% 3J (0.82 µm InGaP/ 3.9 µm GaAs/ Ge) Cell
Model using Improved Genetic Algorithm Design Parameters,
AMO. ................................................................................................... 39
Figure 2.8. Current–voltage curve of a p-GaAs/i-n InGaAsN hetero-junction cell
with intrinsic layer width of 600 nm ..................................................... 40
Figure 3.1. n and k data base of Germanium .......................................................... 43
Figure 3.2. Direct Bandgap- Indirect Bandgap ....................................................... 44
Figure 3.3. The temperature dependence of the intrinsic carrier concentration ni. ... 45
Figure 3.4 Fermi level versus temperature for different concentrations of
shallow donors and acceptors. ............................................................. 45
Figure 3.5. n and k data base of Indium Phosphorus............................................... 47
Figure 3.7. Fermi level versus temperature for different concentrations of
shallow donors and acceptors. ............................................................. 48
Figure 3.8. N and k data base of Aluminum Gallium Arsenic compounds. ............. 50
Figure 3.10. Silvaco’s TCAD suite of tools ............................................................ 53
Figure 3.11. Atlas inputs and outputs ..................................................................... 54
Figure 3.12. Atlas command groups and primary statements ................................. 56
Figure 3.13. Atlas mesh ......................................................................................... 57
Figure 3.14. Atlas region ....................................................................................... 59
Figure 3.15. Atlas regions with materials defined................................................... 59
Figure 3.16. Atlas electrodes.................................................................................. 60
Figure 3.17. Atlas doping....................................................................................... 61
Figure 3.18. Atlas material models specification .................................................... 62
Figure 3.19. Atlas numerical method selection ....................................................... 64
Figure 3.20. Atlas solution specification. ............................................................... 65
Figure 3.21. Atlas results analysis. ......................................................................... 66
Figure 3.22. Sample TonyPlot IV curve. ................................................................ 67
XI
Figure 4.1. Simple InP cell..................................................................................... 71
Figure 4.2. The mesh ............................................................................................. 72
Figure 4.3. Mesh defined for the InP whole, top and bottom .................................. 72
Figure 4.4. Net Doping for the InP ......................................................................... 73
Figure 4.5. The layer structure of the InP ............................................................... 73
Figure 4.6 IV curve of InP .................................................................................... 75
Figure 4.7. Heterojunction prototype...................................................................... 76
Figure 4.8. Heterojunction cell ............................................................................... 77
Figure 4.9. The mesh ............................................................................................. 78
Figure 4.10. Mesh defined for the heterojunction cell whole, top and bottom ......... 78
Figure 4.11. Net Doping for the heterojunction cell................................................ 79
Figure 4.12. The layer structure of the heterojunction cell ...................................... 79
Figure 4.13. IV curve of heterojunction cell .......................................................... 80
XII
XIII
LIST OF ABBREVIATONS
Symbol Description Unit

a Lattice constant Å
AUGN Electron Auger coefficients cm6/s
AUGP Hole Auger coefficients cm6/s
c Speed of light m/s
c Affinity eV
COPT Radiative recombination rate cm3/s
E Energy eV
e1, e2, n, k Optical constants –
eS Permittivity F/cm
EC Conduction band eV
EF Fermi energy level eV
Eg Energy bandgap eV
EV Valence band eV
f Frequency Hz
f(E) Fermi–Dirac distribution function –
h Plank’s constant J×s
I Current A
ISC Short circuit current A
k Boltzmann’s constant J/K
k Optical parameters (absorption index) –
kT Thermal energy eV
mn (MUN) Electron mobility cm2/V×s
mp (MUP) / hole mobility cm2/V×s
n Optical parameters (refractive index) –
P Power W
R Reflectivity –
r Resistivity W×m
s Conductivity S/m
XIV
o
T Absolute temperature K
TAUN / TAUP Electron / hole lifetimes s
V Voltage V
VOC Open circuit current V
XV
1.INTRODUCTION Faruk KÜRKER
1. INTRODUCTION
It is expected by the authorities that the global energy demand will double
within the next 50 years. Fossil fuels are held responsible for the increased
concentration of carbon dioxide in the atmosphere of earth]. Hence, development of
renewable energy is one of the challenges to society in the 21st century. One of the
most popular renewable energy technologies is photovoltaics (PV). It is the
technology that directly converts daylight into electricity. PV is one of the fastest
growing of all the renewable energy technologies, in fact, it is one of the fastest
growing industries at present. Solar cell manufacturing technology of crystalline
silicon devices is growing by approximately 40% per year and this growth rate is
ever increasing (Janssen).
The purpose of solar cells is to change light energy into electrical energy with
the probable highest efficiency. Photo-electrons or photons make light. Photons carry
energy that is different according to the color, or wavelength of light. Electrical
energy is generated when photons incite electrons from the valence band into the
conduction band in semiconductor materials.
The aim of this study is to simulate a new heterojunction solar cell from
microfabrication steps to calculate its efficiency. Silvaco Atlas TCAD simulation
software is used for this simulation and efficiency investigation.
1
1.1. Basic of Semiconductor Physics
1.1.1. Classification of Materials
We categorize material according to their electrical properties as conductors,

insulators or semiconductors. The conductivity σ is a key parameter in identifying
the type of material. A sample of materials based on conductivity is presented in
Figure 1.1. The semiconductors fall between the insulators and the conductors
(Baldomero Garcia, 2007: 5).
Figure 1.1 Materials classified by conductivity (Sze, 2001: 8)
Semiconductors are found in elemental or compound form. Silicon (Si) and

Germanium (Ge) are examples of elemental semiconductors. Both of these
semiconductors are in group IV of the periodic table. An abbreviated periodic table is
shown in Figure 1.2. In addition to the group IV semiconductors, we can make
compounds with elements from groups III and V, respectively. Examples of III-V
2
semiconductors are Aluminum Phosphide (AlP), Gallium Nitride (GaN), Indium

Phosphide (InP), Gallium Arsenide (GaAs), among others. We can make
semiconductor compounds from groups II-VI, such as Zinc Oxide (ZnO), Cadmium
Telluride (CdTe), Mercury Sulfide (HgS), among others. Indium and Gallium form
group III elements, while Nitrogen is a group V element (Baldomero Garcia, 2007:
6).
Figure 1.2. Partial periodic table

(http://www.nrc-cnrc.gc.ca/eng/education/elements/index.html)
1.1.2. Atomic Structure
At present, majority of solar cells are based on silicon (Si). This is because of
Si’s unique atomic structure and material properties. Si is a Group IV element with
atomic number 14 and the group IV designation denotes four electrons in its
outermost shell. This occurs because, as the atomic number increases, electron shells
are filled in the following order:(UTSLER, 2006: 3)
3
Figure 1.3. Order of electron shell filling

(http://www.fordhamprep.org/gcurran/sho/sho/lessons/lesson36.
html )
The arrangement of electrons in a Silicon atom is shown in Figure 1.4. The

first shell has two electrons, the second shell has eight electrons, outer shell has four
electrons. When Silicon atoms are together, the atoms from the outer shells are found
in covalent bonds. Therefore, a Silicon atom creates bonds with four other Silicon
atoms (Baldomero Garcia, 2007: 7)
4
Figure 1.4. Silicon Electron Shell Diagram

(http://commons.wikimedia.org/wiki/File:Electron_shell_014_
silicon. png)
As seen in table 1.1. electron configuration of IIIA, IVA, VA group of

elements.
Table 1.1. Electron Configuration of IIIA, IVA, VA Group Elements

(http://en.wikipedia.org/wiki/Group_(periodic_table))
Atomic
Number No. Of
Symbol Element
(Proton electrons/shell
Number)
5 B boron 2, 3
13 Al aluminium 2, 8, 3
31 Ga gallium 2, 8, 18, 3
49 In indium 2, 8, 18, 18, 3
81 Tl thallium 2, 8, 18, 32, 18, 3
5
Atomic Number
No. Of
(Proton Symbol Element
electrons/shell
Number)
6 C carbon 2, 4
14 Si silicon 2, 8, 4
32 Ge germanium 2, 8, 18, 4
50 Sn tin 2, 8, 18, 18, 4
82 Pb lead 2, 8, 18, 32, 18, 4
Atomic Number Symbol Element No. Of electrons/shell

(Proton Number)
7 N nitrogen 2, 5
15 P phosphorus 2, 8, 5
33 As arsenic 2, 8, 18, 5
51 Sb antimony 2, 8, 18, 18, 5
83 Bi bismuth 2, 8, 18, 32, 18, 5
As seen in Figure 1.5, the elliptical dotted lines represent the covalent bonds
formed by the silicon atoms. When an electron is missing, the covalent bond stops
existing. A hole takes the place of the electron.
6
Figure 1.5. Covalent bonds of Si atom (Michalopoulous, 2002: 11)
Energy bands form one of the fundamental concepts of semiconductor

physics. These energy bands are the valence band, the conduction band, and the
forbidden gap or band gap (Pierret, 1996: 27). When an electron is in the valence
band, the covalent bond exists. In order for the electron to move from the valence
band into the conduction band, energy is required to excite the electron. The band
gap energy is the minimum energy necessary for the electron to move from the
valence band into the conduction band (Baldomero Garcia, 2007: 8)
We see in Figure 1.6 the band gap diagrams for conductors, insulators, and
semiconductors. This figure also shows the differences among the three types of
materials according to their electric properties. In the case of conductors, the band
gap is small or non-existent. But insulators have wide band gaps. Hence, much more
energy is required for the insulator to have electrons in the conduction band.
7
Figure 1.6. Band gap diagrams (Michalopoulous, 2002: 8)
Semiconductors have band gaps which are dependent on the material.

Because band gap is also dependent on temperature, it should be noted that all said
band gaps in this study are at room temperature (300 K.)
1.1.3. Electrons and Holes
A semiconductor at absolute zero temperature cannot conduct heat or

electricity (Nelson, 2003: 44). All of the semiconductor’s electrons are bonded. The
electrons get kinetic energy when the temperature is increased. Some of the electrons
are released and move into the conduction band. These electrons can conduct charge
or energy. We call the areas left by these electrons in the valence band as holes.
When the temperature of the semiconductor increases, the number of free electrons
and holes increases, too. So, the conductivity of the semiconductor is directly
proportional to temperature increases.
The conductivity of the semiconductor can be changed by exposing it to light
or by doping it. Photoconductivity consists of exposing the semiconductor with
photon energy larger than the semiconductor’s band gap. Doping consists of adding
impurities to the semiconductor material.
8
N-type and p-type doping are shown in Figure 1.7. The atom of the
semiconductor is represented by the blue circle and a +4. For example, a silicon atom
has four electrons in its outer shell. When silicon atoms are n-doped, atoms from
group V of the periodic table are added. Every added group V atom provides an
extra electron to donate. When silicon atoms are p-doped, the atoms from group III
of the periodic table are added. Each group III atom has one less electron than
silicon. Therefore, a hole is added. The number of carriers is increased by doping in
the semiconductor material.
Figure 1.7. Structure of n-type and p-type doping (Michalopoulous, 2002:

13)
An intrinsic semiconductor is a pure semiconductor with a insignificant

amount of impurity atoms (Pierret, 1996). By definition, the number of electrons and
holes in a semiconductor are shown by n and p. See Table 1.2.
Table 1.2. Definitions of n and p
n Number of Electron / cm3

3
p Number of Holes / cm
9
In the case of an intrinsic semiconductor, the case shown below occurs:
n = p = ni (1.1)
For example reasons, ni is given for GaAs, Si and Ge and room temperature
(Pierret, 1996: 34). See Table 1.3 .
Table 1.3. Intrinsic carrier concentration at room temperature (300K)

(http://www.ioffe.ru/SVA/NSM/Semicond/)
3
Carrier Concentration ( ni ) per cm Material
6
2×10 GaAs
13
2×10 Ge
10
1×10 Si
22
6.2×10 InN
22
8.910 GaN
7
1×10 InP
When solar cells use semiconductor materials from Table 1.3, the current level
is highest for Ge and lowest for GaAs. The current levels correspond in rank to the ni
levels provided in Table 1.3.
1.1.4. Direct and Indirect Band Gaps
Because the band gap is the minimum energy required to move an electron
from the valence band into the conduction band, it is necessary to differentiate
between direct and indirect band gaps.
Figure 1.8 shows the concept of direct and indirect band gaps. The blue part
shows the valence band. The tan part shows the conduction band.
10
Figure 1.8. Direct and indirect band gaps (Michalopoulous, 2002: 24)
When the valence band and the conduction band are together in wave vector k,
the semiconductor has a direct band gap. When the valence band and the conduction
band have different wave vector k, the semiconductor has an indirect band gap. The
k vector represents a difference in momentum. Photons have insignificant
momentum. In order to incite an electron from the valence band to the conduction
band in an indirect band gap semiconductor, in addition to a photon, a phonon is
necessary. The phonon is a lattice vibration. The phonon transfers its momentum to
the electron at the time the photon is absorbed. Consequently, a direct band gap
semiconductor is commonly better for optoelectronics. Silicon is an example of an
indirect band gap semiconductor. Gallium Arsenide and wurtzite Indium Gallium
Nitride form examples of direct band gap semiconductors.
1.1.5. Fermi Level
The Fermi function f(E) specifies the quantity of the existing states at energy E
are filled with an electron (Pierret, 1996). The Fermi function is a probability
distribution function defined as follows:
11
1
f (E) =
1 + e ( E − EF ) / kT
(1.2)
Where E is the electron energy, EF is the Fermi level, k is Boltzmann’s

constant, and T is the temperature in Kelvin. A plot of f (E) is seen in Figure 1.9.
Figure 1.9. Fermi distribution (Michalopoulous, 2002: 15)
From the Fermi function, we can determine that when E=EF, then
f(E)=f(EF)=0.5.
Figure 1.10 shows the Fermi level for an intrinsic semiconductor. Figure 1.11
shows the Fermi level for n-type semiconductor. Figure 1.12 shows the Fermi level
for p-type semiconductor. From these Figures, we can deduce that the n-type
material has a larger electron carrier distribution whereas the p-type material has a
larger hole carrier distribution.
12
Figure 1.10. Fermi level: intrinsic case (Pierret, 1996: 42)
Figure 1.11. Fermi level: n-type case (Pierret, 1996: 42)
Figure 1.12. Fermi level: p-type case (Pierret, 1996: 42)
1.2. Solar Cell Fundamentals
After the basics of semiconductors, the logical step is to go on with solar cell
fundamentals.
Solar cell research started with Edmund Bequerel’s discovery of the
photovoltaic effect in 1839. He found that an electric current was produced when
light was applied to a silver covered platinum electrode immersed in electrolyte. The
next noteworthy step was was taken by William Adams and Richard Day in 1876.
13
They discovered that a photocurrent appeared when selenium was contacted by two
heated platinum contacts. Nevertheless, current was produced spontaneously by the
action of light. Continuing to build on these works, Charles Fritts developed the first
large area solar cell in 1894. He pressed a layer of selenium between gold and
another metal. Progress continued as the theory of metal semiconductor barrier layers
was established by Walter Schottky and other. In the 1950s, silicon was used for
solid state electronics. Silicon p-n junctions were used to improve on the
performance of the Schottky barrier. These silicon junctions had better rectifying
action and photovoltaic behavior. In 1954, Chapin, Fuller and Pearson developed the
first silicon solar cell, with a reported efficiency of 6%. Nevertheless, the cost per
Watt associated with these solar cells made them prohibitively expensive for
terrestrial use. However, where power generation was not practicable (i.e., space)
were suitable for solar cells. Satellites were the first clear application for silicon solar
cells. Since that time, solar cells have progressed gradually both in terms of
efficiency as well as materials used their production (Nelson, 2003: 2).
A brief list of events in the history of photovoltaics from 1939 until 2002 is
shown in Table 1.4.
1.2.1. Photovoltaic Effect
The photovoltaic effect is the process by which a solar cell changes the
energy from light into electrical energy. Photons make the light. The energy of these
photons changes according to the color (wavelength) of light. The material that
makes up the solar cell determines the photovoltaic properties when light is applied
(Nelson,2003: 1).
When light is absorbed by matter, such as metal, photons provide the energy
for electrons to move to higher energy states within the material. However, the
energized electrons return to their original energy state. In semiconductor materials,
there is a built-in asymmetry (band gap). This allows the electrons to be transferred
to an external circuit before they can return to their first energy state. The energy of
the excited electrons creates a potential difference. This electromotive force directs
14
the electrons through a load in the external circuit to perform electrical work
(Baldomero Garcia, 2007: 15-16).
Table 1.4. Notable events in the history of photovoltaics (Hegedus and Luque, 2003)
15
1.2.1.1. Electromagnetic Spectrum
Light is electromagnetic radiation. The frequency of light decides its color.

Figure 1.13. shows the visible part of the electromagnetic spectrum. Visible
wavelengths range from 390 nm (violet) to 780 nm (red). Table 1.4. shows the rough
wavelength range of visible colors (Baldomero Garcia, 2007: 15)
Figure 1.13. The electromagnetic spectrum

(http://www.photobiology.info/Visser-Rolinski_files/Fig2.png)
16
Table 1.5. Approximate wavelength of various colors in vacuum

(http://physics.about.com/od/lightoptics/a/vislightspec.htm)
The Visible Light Spectrum
Color Wavelength (nm)

Red 625 - 740
Orange 590 - 625
Yellow 565 - 590
Green 520 - 565
Cyan 500 - 520
Blue 435 - 500
Violet 380 - 435
The sun releases light from ultraviolet, visible, and infrared wavelengths in
the electromagnetic spectrum. Solar irradiance has the largest magnitude at visible
wavelengths, highest in the blue-green (Nelson, 2003: 17).
1.2.1.2. Band Gap
The band gap of the semiconductor material determines how the solar cell
reacts to light. Table 1.5 shows a small sample of semiconductor band gaps.
Table 1.6. Common semiconductor band gaps

Material Band gap (eV) at 300 K
Si 1.12
Ge 0.66
GaAs 1.42
InP 1.34
17
The band gap of the semiconductor material decides the wavelength of light
that meet the requirements to generate electrical energy. The conversion formula
between band gap and wavelength is:
hc
λ (µm) =
Eg (eV ) (1.3)
1.24
λ (µm) = (1.4)
Eg (eV )
Where λ is the wavelength in micrometers, h is Planck’s constant, c is the

speed of light in vacuum, and Eg is the band gap in eV. One eV is approximately
equal to 1.6x10-19 J of energy. In the case of Indium phosphate, the wavelength that
corresponds to 1.34 eV is 0.9253 μm.
Figure 1.14. visualizes the concept of light absorption. When light has energy
greater than 1.1 eV, the silicon solar cell generates electricity. Light with less than
1.1 eV of energy is unused. Likewise, light with energy greater than 1.43 eV excites
the outer shell electrons of the gallium arsenide solar cell. And lastly, light with
energy greater than 1.7 eV is useful for aluminum gallium arsenide photovoltaic
material (Baldomero Garcia, 2007: 19)
18
Figure 1.14. Effect of light energy on different band gaps, (Baldomero

Garcia, 2007: 19)
1.2.1.3. Solar Cell Junctions
The discussion in the previous section discussed the effect of light energy on
different band gaps. When treated individually, each of the photovoltaic materials
from Figure 1.14. would act as a single junction solar cell.
Nevertheless, to increase the efficiency of the solar cell, multiple junctions
can be created. For example, in Figure 1.14., the top junction is made up of
Aluminum Gallium Arsenide. This junction will absorb light energy greater than 1.7
eV. Any unused photons will be filtered through to the next junction. The gallium
arsenide junction will, as aresult, absorb the photons with energy greater than 1.4 eV.
The remaining photons will be absorbed by the silicon junction. (Baldomero Garcia,
2007: 20)
Although the above paragraph described the basics of a multijunction solar
cell, such device may not produce the desired results due to lattice mismatch. The
next section covers the basics of lattice matching.
19
1.2.1.4. Lattice Matching
Semiconductors are three-dimensional in their cell structure. The simple

cubic structure serves to illustrate the concept of lattice and is shown in Figure 1.15.
Figure 1.15. Simple cubic lattice structure

(http://en.wikipedia.org/wiki/File:Lattic_simple_cubic.svg)
Figure 1.15 shows that each side of the cube is represented by the letter “a”.
The separation “a” is the lattice constant. Each semiconductor material has a lattice
constant. Then, when creating multijunction solar cells, the lattices must be matched.
Figure 1.16 shows the lattice constants for several semiconductors. An
example given by P. Michalopoulos (Michalopoulous, 2002: 87) shows how to
lattice match Indium Gallium Phosphide to Gallium Arsenide.
20
Figure 1.16. Lattice constants (Michalopoulous, 2002: 87)
The alloy Indium Gallium Phosphide consists of x parts of Gallium

phosphide and 1-x parts of Indium Phosphide. As a result, Indium Gallium
Phosphide is represented as In1-xGaxP.
GaAs has a lattice constant α=5.65Å, GaP has α=5.45Å and InP has α=5.87Å.
The goal is to create InGaP with a lattice constant that matches that of GaAs. The
formula to find x is given as:
αGaAs − α InP
αGaAs = αGaP.x + α InP.(1 − x) ⇔ x =
αGaP − α InP (1.5)
With x ≅ 0.52, In0.48Ga0.52P has α=5.65Å. A rough approximation of the

resulting band gap of In0.48Ga0.52P is given as follows:
21
E GInGaP = xE GGaP + (1 − x ) E GInP (1.6)
The equation gives a band gap of 1.9 eV for In0.48Ga0.52P. So, a dual-junction
solar cell of InGaP at 1.9 eV and GaAs at 1.4 eV can be built. (Baldomero Garcia,
2007: 21-22)
1.2.1.5. AM0 Spectrum
The place of the solar cell affects the input solar radiation spectrum. A solar
cell on Mars gets a different (smaller) spectrum than a solar cell on a satellite that
orbits Earth. The energy received outside Earth’s atmosphere is approximately 1365
W/m2. This spectrum is called Air Mass Zero or AM0. Terrestrial solar cells have to
deal with the reduction of the solar spectrum due to Earth’s atmosphere. This solar
spectrum is called AM1.5. For the purposes of this study, AM0 is used during
simulations.
Figures 1.17. and 1.18. show the AM0 spectrum with respect to wavelength
and energy, respectively. From Figure 1.18., we can see that semiconductor materials
with band gaps of less than 4 eV can extract most of the solar spectrum. (Baldomero
Garcia, 2007: 23)
22
Figure 1.17. AM0 spectrum (Wavelength vs Irradiance)

(http://rredc.nrel.gov/solar/spectra/am0)
Figure 1.18. AM0 spectrum (Energy vs Irradiance)

(http://rredc.nrel.gov/solar/spectra/am0)
23
1.2.1.6. Current-Voltage Curves
A typical solar cell current-voltage (IV) curve is presented in Figure 1.19.
Figure 1.19. Sample IV curve used in efficiency calculations (GRAY, 2003:

12).
From Figure 1.19., there are several points of interest. The short circuit
current (ISC) occurs when the voltage is zero. This is the peak value current. The
open circuit voltage (VOC) occurs when the current is zero. This is the highest
voltage. The dimensions of the larger rectangle in Figure 1.19. are determined by
VOC and ISC. Since power (P) is determined by the product of current times voltage,
the maximum power point occurs at (VMP,IMP).
The calculations for solar cell efficiency are as follows:
The point in the I-V curve where the product of the voltage and the current is
at its peak is called the maximum power point. It is Pmax = Vmax.Imax.
24
Pmax = I mpVmp (1.7)
Fill factor is the measure of the squareness of the I-V curve. It is defined as
follows,
Pmax I mpVmp
FF = = (1.8)
I scVoc I scVoc
Power conversion efficiency (PCE) is the proportion of the maximum power

obtained to the power input.
Pmax I mpVmp
η= = (1.9)
Pin Pin
Where Pmax is the maximum power point, FF is the fill factor, and η is the
efficiency. The fill factor measures the “squareness” of the IV curve.
1.2.1.7. Electrical Output
A solar cell is a p-n junction photodiode. In order to obtain the IV

characteristic of the solar cell, the dark current needs to be subtracted from the
photogenerated current.
I = IL − ID (1.10)
The dark current is the current through the solar cell when bias is applied in
the dark (Nelson, 2003: 30).
Graphically, the IV characteristic is obtained in Figure 1.20.
25
Figure 1.20. Solar cell IV characteristic (Baldomero Garcia, 2007: 26)
1.3. Heterojunctions
We call a junction created by the same semiconductive material

homojunction. As both sides of the junction have the same lattice constant, smooth
chemical bonds in the interface area is formed by the crystal atoms. Homojunctions
of materials with the same type of conductivity (p– or n–type) are called isotype
while those with a different one are called anisotype.
We call junctions created using different materials heterojunctions. Since
now the lattice constants do not match, the atoms create chemical bonds in the
heterointerface by adjusting their positions. This creates strain and causes crystal
dislocations and structure defects in depth. This will increase carrier scattering and
hence decrease their mobility. Additionally, atoms with dangling bonds will form
carrier traps acting as recombination centers, which will decrease carrier lifetime
(Figure 1.21).
26
Figure 1.21. Crystal dislocation in heterojunction (Michalopoulous, 2002: 45)
Then, materials with similar lattice constants are used, like GaAs with AlAs.
The use of ternary compounds, like GaP + InP, is also recommended, as their
proportion can adjust their lattice constant to the necessary levels. (GaP)0.51(InP)0.49
≡Ga0.51In0.49P is matched to GaAs (Michalopoulous, 2002: 45).
From an energy point of view, the formation of the heterointerface uses the
vacuum and Fermi energy levels is illustrated in Figure 1.22.
27
Figure 1.22.Band diagram of heterojunction formations (Michalopoulous,

2002: 46)
We have proposed the use of heterostructure films on porous Si. The

microscopic islands and grooves of the Si surface relieve the strains and reduce
dislocations. Finally, the use of alternative, very thin layers, of the two materials is
called superlattice and is known not only to reduce the formation of dislocations, but
increase the carrier mobility of the device. For instance, GaAs has a bandgap of
1.42eV and Al0.3Ga0.7As has 1.72eV. Their difference is 0.3eV. The process used to
produce such precisely thin layers is called molecular beam epitaxy (MOCVD). The
undoped structure will seem like in figure 1.23a. Si can be used to dope the AlGaAs
and make it n–type while the GaAs stays undoped. This will raise the Fermi level
and change the energy diagram like in figure 1.23b. Electrons from the donor (Si) in
AlGaAs will move into the GaAs layers for their lower energy conduction band.
Now the donor atoms that would cause carrier scattering are separated from the
28
carriers (Figure 1.23), hence the electron mobility in GaAs is increased. This increase
is far bigger than that of the bulk material and thus the carrier mobility is
significantly improved.
Figure 1.23.Band diagram of superlattice formation (a) undoped and b)

AlGaAs doped (SZE, 1981: 128)
Important heterojunction applications are photonic devices like

photodetectors, photodiodes, semiconductor lasers and solar cells.
29
30
2. PREVIOUS WORK Faruk KÜRKER
2. PREVIOUS WORK
This research is related to a Naval Postgraduate School thesis completed in

March 2002 by Panayiotis Michalopoulos titled “A Novel Approach for the
Development and Optimization of State-of-the-art Photovoltaic Devices Using
Silvaco“ and in June 2007 by Baldomero Garcia, Jr. titled “Indium Gallium Nitride
Multijunction Solar Cell Simulation Using Silvaco Atlas”.
Previous Silvaco Atlas solar cell simulations have been performed by Naval
Postgraduate School researchers. Michalopoulos investigated the feasibility of
designing solar cells using Silvaco Atlas. To demonstrate the use of Silvaco Atlas,
Michalopoulos simulated single-junction solar cells with Gallium Arsenide, dual-
junction solar cells with Indium Gallium Phosphide and Gallium Arsenide, and
triplejunction cells with Indium Gallium Phosphide, Gallium Arsenide, and
Germanium. The highest efficiency obtained with the triple-junction was 29,5%.
This result matched the 29,3% efficiency obtained with actual triple-junction solar
cells in production.
Green followed Michalopoulos’s work by simulating a quad-junction solar
cell. Realizing the complexity and the number of possible variables the make a multi-
junction solar cell, Bates developed an algorithm to further optimize Michalopoulos
and Green’s work. Bates also demonstrated that a solar cell can be optimized based
on environmental factors, specifically an optimal cell for the Martian light spectrum.
Bates provided excellent background on the use of Silvaco Atlas. Green,
Canfield and Baldomero Garcia continued to work on Silvaco Atlas solar cell design.
Jeffrey Lavery, Sheriff Michael's had done in 2008, "Quantum Tunnelling In
Model Of A PN Junction Silvaco" study named research is to accurately model the
tunnel junction interconnect within a multi-junction photovoltaic cell.
According to study results it is possible to model such effects as quantum
tunnelling in a photovoltaic solar cell. To this point, the tunnel junction in a multi-
junction cell was modelled as a vacuum to insulate the layers, then hardwired to pass
the current between cells. Although this is effective, the cell being modelled is not
fully optimized.
31
Agui and Takamoto experimental result were obtained, which data for an
InGaP/GaAs photovoltaic cell produced a VOC = 2.488V and an ISC = 23mA/cm2
(AGUI and TAKAMOTO, 1998).
Lavery’s’s thesis has reached the following ISC and VOC values. VOC = 2.5V
and an ISC = 22mA/cm2 with a FF = 84% and η = 29% (Figure 2.1).
Figure 2.1. Optimized multi-junction solar cell (InGaP/GaAs) I-V curve.

(A/cm2 versus voltage)
Delfina Muñoz Cervantes and Cristóbal Voz Sánchez’s had done in 2008,
“Silicon heterojunction solar cells obtained by Hot-Wire CVD” study named
research the possibility to fabricate a-Si:H/c-Si heterojunction devices by Hot-Wire
Chemical Vapor Deposition (HWCVD) has been demonstrated. Finally, we have
also started the research of heterojunction solar cells on n-type c-Si substrates. The
best structure obtained on p-type substrates was symmetrically replicated on n-type
wafers. Then, preliminary heterojunction solar cells on n-type substrates reached
promising efficiencies up to 10.7%. The JV characteristics of bifacial solar cells on
p- and n-type wafers have also been measured for illumination from the rear side. A
slight response is obtained in both cases with Voc over 200 mV, moderated Jsc
around 10 mA×cm-2 and FF around 25%.
32
Baldomero Garcia and Sheriff Michael's had done in 2007, “Indium Gallium
Nitride Multijunction Solar Cell Simulation Using Silvaco Atlas” study named
research is investigates the potential use of wurtzite Indium Gallium Nitride as
photovoltaic material. Silvaco Atlas was used to simulate a quad-junction solar cell.
Each of the junctions was made up of Indium Gallium Nitride. The band gap of each
junction was dependent on the composition percentage of Indium Nitride and
Gallium Nitride within Indium Gallium Nitride. This research shows that Indium
Gallium Nitride is a promising semiconductor for solar cell use.
Baldomero Garcia’s thesis has reached the following ISC and VOC values. VOC
= 4.98 V and an ISC = 12.88 mA/cm2 with a FF = 88.06 % and η = 43.62 % ( Figure
2.2).
Figure 2.2. Quad-junction InGaN solar cell IV curve
Michael H. Sanders and Sheriff Michael's had done in 2007, “Modeling Of

Operating Temperature Performance Of Triple Junction Solar Cells Using Sılvaco’s
Atlas” study named research utilizes Silvaco’s ATLAS software as a tool to simulate
the performance of a typical InGaP/GaAs/Ge multi-junction solar cell at various
temperatures. Additional optimization is performed on the base thickness layers to
represent that enhancement for the proper operating environment can be achieved.
33
Results are shown for a multi-junction cell operating under Air Mass 0 at 300K,
325K, 350K, and 375K.
Michael H. Sanders’s thesis has reached the following Pmax value.
Pmax=41.7388 mW/cm2 ( Figure 2.3).
Figure 2.3. I-V curve based on new bases discovered in smaller iteration test
at 300K.
William Alexander Gibson, Todd R. Weatherford’s had done in 2007,

“Comparison of Gallium Nitride High Electron Mobility Transistors Modeling In
Two and Three Dimensions” study named research looks at modeling Gallium
Nitride (GaN) High Electron Mobility Transistor (HEMT) Semiconductors. The GaN
device has potential future military use in the high power and high frequency
operation replacing costly millimeter wave tubes. This would affect military radar
systems, electronic surveillance systems, communications systems and high voltage
power systems by providing smaller and more reliable devices to drive operation.
The result of the HEMT device was modeled using Silvaco software package and
compared to an actual device on sapphire substrate. The HEMT modeling was done
in two and three dimension modeling software. Finally the software model showed
the improved thermal characteristics of the HEMT device on the diamond substrate
over that of the sapphire.
34
Panayiotis Michalopoulos and Sheriff Michael's had done in 2002, “A Novel

Approach For The Development And Optimization Of State-Of-The-Art Photovoltaic
Devices Using Silvaco” study named research a new method for developing realistic
simulation models of advanced solar cells is presented. Several electrical and optical
properties of exotic materials, used in such designs, are researched and calculated.
Additional software has been developed to facilitate and enhance the modeling
process. Furthermore, specific models of an InGaP/GaAs and of an InGaP/GaAs/Ge
multi-junction solar cells are prepared and are fully simulated. Finally, additional
optimization is performed on the last state–of–the–art cell, to further improve its
efficiency. The flexibility of the proposed methodology is demonstrated and example
results are shown throughout the whole process.
Panayiotis Michalopoulos’s thesis has reached the following ISC and VOC
values. VOC = 2.655V and ISC = 17.6mA/cm2 (Figure 2.4).
Figure 2.4. IV characteristic of the prototype triple MJ cell. (experimental

data KING and FRIENDS, 2000)
Darin J. McCloy and Sheriff Michael's had done in 1999, “High Efficiency
Solar Cells: A Model in Silvaco” study named research develops a model in Silvaco
International's Virtual Wafer Fabrication (VWF) environment to assist advanced
35
solar celi developers in designing more efficient solar cells intended for use in space.
The complete model is intended to accurately predict the properties and
characteristics of an existing state-of-the art multiple junction solar celi. It was
concluded that Celi thickness was increased and decreased. The expected results in
the increased thickness case would be less current "collection" due to more electron
hole pair recombination. The total effect this would have on current at the cathode
would be determined by diffusion length and carrier lifetime.
Darin J. McCloy’s thesis has reached the following ISC and VOC values. (
Figure 2.5).
Figure 2.5. IV characteristic of Si solar cell.
Orlando Marvin Erickson's had done in 1989, “Analysis of Degradation

Mechanisms In Thin Film Cdte-Cds Heterojunction Solar Cells” study named
research a currently existing theory will be expanded and used to run simulations of
actual cells. The simulations will be compared to actual cells to determine the
validity of the theory and to propose methods for increasing cell lifetimes. This
modeled the cell first as metal / semiconductor then changed it to a metal / insulator /
semiconductor (MIS) contact. Simulations and the actual degraded cells it was seen
36
that the two correlated. Thus the MIS contact model appeared to be a correct theory for
our cell degradation.
The following articles were also written.
Sheriff Michael and Andrew Bates’s was written in 2004, “The Design And
Optimization of Advanced Multijunction Solar Cells Using The Silvaco ATLAS
Software Package” named in the article the design and optimization of advanced
multijunction photovoltaic devices, utilizing a newly introduced modelling technique
(J. Sol. Energy Mater. Sol. Cells, submitted for publication), is demonstrated. Also a
model of an InGaP/GaAs/InGaNAs/Ge four-junction solar cell is prepared and is
fully simulated. The major stages of the process are explained and the simulation
results are compared to published theoretical and experimental data. Below and as a
result of current-voltage characteristics were obtained.
Sheriff Michael and Andrew Bates article’s have reached the following ISC
and VOC values ( Figure 2.6).
Figure. 2.6. I-V characteristics of InGaP/GaAs/InGaNAs/Ge cell (MICHAEL

and GREEN, 2003)
37
Michael H. Tsutagawa and Sherif Michael’s was written in 2009, “Trıple

Junctıon Ingap/Gaas/Ge Solar Cell Optımızatıon: the Desıgn Parameters for a
36.2% Effıcıent Space Cell Usıng Sılvaco Atlas Modelıng & Sımulatıon” named in
the article the design parameters for a triple junction InGaP/GaAs/Ge space solar cell
with a simulated maximum efficiency of 36.28% using Silvaco ATLAS Virtual
Wafer Fabrication tool. Design parameters include the layer material, doping
concentration, and thicknesses. An initial dual junction InGaP/GaAs model of a
known Japanese solar cell was constructed in Silvaco ATLAS to an accuracy of less
than 2% with known experimental Voe and Jse performance results, validating the
use of computer modeling to accurately predict solar cell performance. As a result of
Computer simulation and modeling of solar cell design appears to be a feasible way
to improve the speed and effectiveness of multi-junction solar cell design. The use of
genetic algorithm to find “the fittest” solution for doping concentrations and layer
thicknesses will aid in searching the vast solution space for the optimal design
parameters for high-efficiency solar cells. However, without the actual fabrication
and testing of these new cell designs, validation of these computer models and
simulations cannot be achieved nor trusted.
Michael H. Tsutagawa and Sherif Michael article’s have reached the
following ISC and VOC values. VOC = 2.76425 V and an ISC = 19.8531 mA/cm2 with a
FF = 89.453 % and η = 89.453 % ( Figure 2.7).
38
Figure. 2.7. I-V Curve of 36.28% 3J (0.82 µm InGaP/ 3.9 µm GaAs/ Ge) Cell
Model using Improved Genetic Algorithm Design Parameters,
AMO.
Masafumi Yamaguchi, Ken-Ichi Nishimura, Takuo Sasaki, Hidetoshi Suzuki,

Kouji Arafune, Nobuaki Kojima, Yoshio Ohsita, Yoshitaka Okada, Akio Yamamoto,
Tatsuya Takamoto and Kenji Araki’s was written in 2008, “Novel materials for high-
efficiency III–V multi-junction solar cells” named in the article developed high
efficiency (38.9% at 489-suns AM1.5G) InGaP/InGaP/Ge 3-junction solar cells and
large-area (5.445 cm2) 3-junction concentrator cell modules with an efficiency of
28.9%.
Masafumi Yamaguchi and Friends article’s have reached the following ISC
and VOC values. VOC = 0.73 V and an ISC = 22.57 mA/cm2 with a FF = 68 % and η =
11.27 % (Figure 2.8).
39
Figure. 2.8.Current–voltage curve of a p-GaAs/i-n InGaAsN hetero-junction

cell with intrinsic layer width of 600 nm.
40
3.MATERIAL AND METHOD Faruk KÜRKER
3. MATERIAL AND METHOD
This section present an introduction to material properties and silvaco

atlas, the structure of the input files, and some of its statements.
3.1. Materials
Optical properties of materials used in this thesis are given below.
Symbol Unit Description

TAUN(τn) s Electron lifetimes
TAUP (τp) s Hole lifetimes
3 -1
COPT cm s Radiative recombination rate
AUGN(Cn ) cm6 s-1 Electron Auger coefficients
AUGP(Cp ) cm6 s-1 Hole Auger coefficients
EG300 eV Bandgap at 300K
PERMITTIVITY - Dielectric constant (static)
AFFINITY eV Electron affinity
2 -1 -1
MUN cm V s Electron motilities
2 -1 -1
MUP cm V s Hole motilities
NC300=2.77e19 cm-3 Electron density of states
(Effective conduction band
density of states )
NV300= 1.615e18 cm-3 Hole density of states
(Effective valence band density
of states)
Index.file=AlGaAs.opt Optical parameters n(refractive
index) and k(absorption index)
41
Table 3.1. Material Defaults for Semiconductors

(http://www.ioffe.ru/ SVA/NSM/Semicond/)
AlGaAs AlInGaP
Material Ge InP InGaAs
x095 (=InAlAsP)
TAUN 1.0e-3 3e-6 1 1e-9 1e-7 s

TAUP 1.0e-3 2e-9 1 1e-8 1e-7 s
COPT 6.41e-14 1.2e-10 0 1.8e-10 1.5e-10 cm3 s-1
AUGN 1.0e-30 9.0e-31 0 5.0e-30 8.3e-32 cm6 s-1
AUGP 1.0e-30 9.0e-31 0 1e-31 1.8e-31 cm6 s-1
EG300 0.661 1.344 0.571 2.14 2.4 eV
PERMITTI
16.2 12.5 14.2 10.202 11.7
VITY
AFFINITY 4 4.38 4.13 3.507 4.2 eV
MUN 3900 5400 256.15 2150 cm2V-1s-1
MUP 1900 200 116.35 141 cm2V-1s-1
NC300 1.0e19 5.7e17 1.15e17 2.77e19 1.2e20 cm-3
NV300 5.0e18 1.1e19 8.12e18 1.615e18 1.28e19 cm-3
3.1.1. Ge (Germanium)
3.1.1.1.Basic Information about Ge
Germanium is IVA group of element. Basic information and atomic

structure about Germanium are given below.
Germanium is a chemical element with the symbol Ge and atomic number
32, atomic mass 72.61 amu, number of protons/electrons 32 and number of
neutrons 41. Classification is metalloid, crystal structure cubic and color grayish.
Germanium has 4 valance electrons. (http://www.chemicalelements.com/elements
/ge.html)
The optical properties of germanium elements are given below.
# Vacuum
material material=Vacuum real.index=3.3 imag.index=0
# Ge
material TAUN=1e-3 TAUP=1e-3 COPT=6.41e-14 AUGN=1.0e-31 AUGP=1.0e-31
material material=Ge EG300=0.661 PERMITTIVITY=16.2 AFFINITY=4
material material=Ge MUN=3900 MUP=1900
42
material material=Ge NC300=1.0e19 NV300=5.0e18

material material=Ge index.file=Ge.opt (http://www.ioffe.ru/SVA/NSM/
Semicond/)
N and k data base of Germanium in figure 3.1.
Figure 3.1. N and k data base of Germanium

(http://www.ioffe.ru/SVA/ NSM/Semicond/)
Germanium is an indirect semiconductor. Thus to make transitions from

the valence band to the conduction band with the least amount of energy an
electron must absorb a photon and a phonon.
Indirect Bandgap- .70 eV at 77K
Direct Bandgap- .881eV at 77K (http://www.physics.purdue.edu/
research/ugrad_rsch/maccall/)
43
Figure 3.2. Direct Bandgap- .881eV at 77K

Indirect Bandgap- .70 eV at 77K
(http://www.physics.purdue.edu/research/ugrad_rsch/maccall)
44
Figure 3.3.The temperature dependence of the intrinsic carrier

concentration ni. (http://www.ioffe.ru/SVA/NSM/Semicond/)
Dashed line shows Fermi level dependence versus temperature for intrinsic
Ge.

shallow donors and acceptors. (http://www.ioffe.ru/SVA/NSM
/Semicond/)
45
3.1.2. InP (Indium Phosphorus)
3.1.2.1.Basic Information about Indium
Indium is IIIA group of element. Basic information and atomic structure

about Indium are given below.
Indium is a chemical element with chemical symbol In and atomic number
49, atomic mass 114.818 amu, number of protons/electrons 49 and number of
neutrons 66. Classification is other metals, crystal structure tetragonal and color
silveris. Indium has 3 valance electrons. (http://www.chemicalelements.com/
elements/in.html)
3.1.2.2.Basic Information about Phosphorus
Phosphorus is VA group of element. Basic information and atomic

structure about Phosphorus are given below.
Phosphorus is the chemical element that has the symbol P and atomic
number 15., atomic mass 30.97376 amu, number of protons/electrons 15 and
number of neutrons 16. Classification is non-metal, crystal structure monoclinic
and color white. Phosphorus has 5 valance electrons. (http://www.
chemicalelements .com/elements/p.html)
The optical properties of InP compounds are given below.

# Vacuum
# InP
material material=InP EG300=1.344 PERMITTIVITY=12.5 AFFINITY=4
material material=InP MUN=5400 MUP=200
material material=InP NC300=5.7e17 NV300=1.1e19
46
material material=InP index.file=InP.opt (http://www.ioffe.ru/SVA/NSM

/Semicond/)
N and k data base of Indium Phosphorus in figure 3.5.
Figure 3.5. N and k data base of Indium Phosphorus

Figure 3.6. The temperature dependence of the intrinsic carrier

concentration ni.(http://www.ioffe.ru/SVA/NSM/Semicond)
47

shallow donors and acceptors. (http://www.ioffe.ru/SVA/NSM
/Semicond/)
3.1.3. InGaAs (Indium Gallium Arsenic)
3.1.3.1.Basic Information about Gallium
Gallium is IIIA group of element. Basic information and atomic structure

about Indium are given below.
Gallium is a chemical element that has the symbol Ga and atomic number
31., atomic mass 69.723 amu , number of protons/electrons 31 and number of
neutrons 39. Classification is other metals, crystal structure orthorhombic and
color white/silver. Gallium has 3 valance electrons. (http://www.
chemicalelements.com/elements/ga.html)
3.1.3.2.Basic Information about Arsenic
Arsenic is VA group of element. Basic information and atomic structure

about Arsenic are given below.
48
Arsenic is the chemical element that has the symbol As, atomic number
33., atomic mass 74.9216 amu , number of protons/electrons 33 and number of
neutrons 42. Classification is metaloid, crystal structure rhombohedral and color
gray. Arsenic has 5 valance electrons. (http://www.chemicalelements.com
/elements/as.html)
The optical properties of InGaAs compounds are given below.
# Vacuum
# InGaAs
material TAUN=1 TAUP=1 COPT=0 AUGN=0 AUGP=0
material material=InGaAs EG300=0.571 PERMITTIVITY=14.2 AFFINITY=4.13
material material=InGaAs MUN=5400 MUP=200
material material=InGaAs NC300=1.15e17 NV300=8.12e18
material material=InGaAs index.file=InGaAs.opt (Atlas User’s Manual, 2005: B-
24)
3.1.4.AlGaAs (Aluminum Gallium Arsenic)
3.1.4.1.Basic Information about Aluminum
Aluminum is IIIA group of element. Basic information and atomic

structure about Aluminum are given below.
Aluminium or aluminum is a silvery white member of the boron group of
chemical elements. It has the symbol Al and its atomic number is 13, atomic mass
26.981539 amu, number of protons/electrons 13 and number of neutrons 14.
Classification is other metals, crystal structure cubic and color silver. Aluminium
has 3 valance electrons. (http://www.chemicalelements.com/elements/al.html)
# Vacuum
#AlGaAs
material TAUN=1e-9 TAUP=1e-8 COPT=1.8e-10 AUGN=5.0e-30 AUGP=1e-31
material material=InP EG300=2.14 PERMITTIVITY=10.202 AFFINITY=3.507
49
material material=InP MUN=256.15 MUP=116.35

material material=InP index.file=AlGaAs9.opt (http://www.ioffe.ru/SVA/NSM/
Semicond/)
N and k data base of Aluminum Gallium Arsenic in figure 3.8.
Figure 3.8. N and k data base of Aluminum Gallium Arsenic compounds.

50
Figure 3.9. The temperature dependence of the intrinsic carrier

concentration ni. 1. x=0, 2. x=0.3, 3. x=0.6, 4. x=1.
(http://www.ioffe.ru /SVA/NSM/Semicond/)
3.1.5. AlInGaP (=InAlAsP) (Aluminium Indium Gallium Phosphorus)
The optical properties of AlInGaP compounds are given below.

# Vacuum
# AlInGaP (=InAlAsP)
material material=InAlAsP EG300=2.4 PERMITTIVITY=11.7 AFFINITY=4.2
material material=InAlAsP MUN=2150 MUP=141
material material=InAlAsP NC300=1.2e20 NV300=1.28e19
Because of AlInGAP optical data are not available , AlGaAs0 optical data
is used.
material material=InAlAsP index.file= AlGaAs0.opt (Michalopoulous, 2002)
51
3.2. TCAD Simulation Environment
Silvaco is a company that specializes in the creation of simulation software

and targets almost every aspect of modern electronic design. The company
provides modeling and simulation capabilities from simple Spice–type circuits all
the way to detailed VLSI fabrication in their TCAD suite of tools (Figure 3.10).
They use user–friendly environments to facilitate design and a vast number of
different modeling options. The tools provide for creating complex models and
3D structural views.
The phenomena modeled range from simple electrical conductivity to
thermal analysis, radiation and laser effects with a wide variety of detailed layer-
growth processes and material properties (e.g. mobilities, recombination
parameters, ionization coefficients, optical parameters) add to the preciseness of
the simulation. However, there is no publicly available documentation of efforts
done by researchers or solar cell manufacturers to make use of this powerful tool
for the modeling of advanced solar cells, but only of simple structures so far.
52
Figure 3.10. Silvaco’s TCAD suite of tools (http://www.silvaco.com)
53
To obtain this purpose, Atlas is a good combination of sophisticated in–

depth device analysis in 2D or 3D. In addition to that, it alters the focus on the
modeler of the actual design and exterminates all fabrication details. Like the rest
of TCAD applications, it is based on hundreds of widely accepted publications,
and numerious researches have verified their accuracy and correctness (Atlas
User’s Manual: 1-4)
3.2. 1. Silvaco Atlas Simulation Software
This thesis uses Silvaco Atlas to perform solar cell modeling.

In this thesis, Silvaco Atlas was extensively used. The DeckBuild run-time
environment received the input files. Within the input files, Silvaco Atlas was
called to execute the code. And finally, to view the output of the simulation
TonyPlot was used. Additionally, output log files were produced. The inputs and
outputs for Silvaco Atlas are depicted in Figure 3.11.
Figure 3.11. Atlas inputs and outputs (Atlas User’s Manual, 2005: 2-2)
54
3.2.2. Silvaco Atlas
Atlas is a software program that simulates two and three-dimensional

semiconductor devices. The physical models included in Atlas are presented in
Table 3.2.
Table 3.2. Silvaco Atlas physical models (Atlas User’s Manual, 2005: 1-2)
3.2.3. Input File Structure
Silvaco Atlas receives input files through DeckBuild. When we enter a

code in, Atlas is called by the input file to run with the following command:
55
go atlas
Following that command, the input file needs to follow a pattern. In Figure
3.12. the command groups are listed.
Figure 3.12. Atlas command groups and primary statements (Atlas User’s
Manual, 2005: 2-8)
Atlas follows the following format for statements and parameters:
<STATEMENT> <PARAMETER>=<VALUE>
The following line of code serves as an example.
DOPING UNIFORM N.TYPE CONCENTRATION=1.0e16 REGION=1 \

OUTFILE=my.dop
The statement is DOPING. The parameters are UNIFORM, N.TYPE,

CONCENTRATION, REGION, and OUTFILE. There are four different type of
parameters: real, integer, character, and logical. The back slash (\) continues the
56
code in the next line. Parameters, such as UNIFORM, are logical. Unless a TRUE
or FALSE value is assigned, the parameter is designated the default value. This
value can be either TRUE or FALSE. The Silvaco Atlas manual needs to be
admitted to identify the default value assigned to specific parameters.
3.3. Structure Specification
The structure specification is obtained by identifying the mesh, the region,

the electrodes and the doping levels.
3.3.1. Mesh
The mesh used for this thesis is two-dimensional. Therefore, only x and y
parameters are defined. The mesh is a series of horizontal and vertical lines and
spacing between them. From Figure 3.13., the mesh statements are indicated.
Figure 3.13. Atlas mesh (Bates, 2004: 18)
The general format to define the mesh is:
X.MESH LOCATION=<VALUE> SPACING=<VALUE>
57
Y.MESH LOCATION=<VALUE> SPACING=<VALUE>
For example, the x.mesh starting at -250 microns has spacing of 25

microns. That means it is relatively coarse. The x.mesh becomes finer between -
25 and 25 microns with a spacing of 2.5 microns. The y.mesh is similarly defined.
For example, at y.mesh of -2.9 microns, the spacing is 0.01 microns. Then at
location y.mesh of -2.8 microns, the spacing changes to 0.03 microns. The mesh is
coarser at y.mesh location of -1, when the spacing is 0.1.
A coarse or fine mesh determines the accuracy of the simulation. A coarse
mesh produces a faster simulation, but less accurate results. A fine mesh produces
a slower simulation, but more accurate results. The areas that have a finer mesh,
therefore, are of greatest interest in the simulation.
3.3.2. Region
After defining the mesh, it is necessary to define the regions. The format to
define the regions is as follows:
REGION number=<integer> <material_type> /

<position parameters>
From Figure 3.14, the code that defines the regions is identified. There are
six regions defined. The limits of each region are explicitly identified in the x- and
y-axis. The regions must then be given a material.
58
Figure 3.14. Atlas region (Bates, 2004: 19)
From Figure 3.15., the code defines the material for each region. Note that
the color coding identifies the material. The regions have vertical and horizontal
lines to mark their boundaries.
Figure 3.15. Atlas regions with materials defined (Bates, 2004: 19)
59
3.3.3. Electrodes
The next structure specification corresponds to electrodes. Typically, in

this simulation the only electrodes defined are the anode and the cathode.
However, Silvaco Atlas has a limit of 50 electrodes that can be defined. The
format to define electrodes is as follows:
ELECTRODE NAME=<electrode name> <position_parameters>
From Figure 3.16., the electrode statements are defined for the anode and
the cathode. Note that the cathode is defined with gold as the material. The x and
y dimensions correspond to region 6 previously defined. Meanwhile, the anode is
defined at the bottom of the cell for the entire xrange at y=0.
Figure 3.16. Atlas electrodes (Bates, 2004: 20)
60
3.3.4. Doping
The last aspect of structure specification that needs to be defined is doping.

The format of the Atlas statement is as follows:
DOPING <distribution type> <dopant_type> /<position parameters>
From Figure 3.17., the doping types and the doping levels are defined.
Doping can be n-type or p-type. The distribution type can be uniform or Gaussian.
Figure 3.17. Atlas doping (Bates, 2004: 21)
3.3.5. Materials Model Specification
After the structure specification, the materials model specification is next.

From Figure 3.18., the materials model specification is broken down into material,
models, contact, and interface.
61
Figure 3.18. Atlas material models specification (Atlas User’s Manual,

2005: 2-8)
3.3.5.1. Material
The format for the material statement is as follows:
MATERIAL <localization> <material_definition>
Below are three examples of the material statement:
MATERIAL MATERIAL=Silicon EG300=1.1 MUN=1200

MATERIAL REGION=4 TAUN0=3e-7 TAUP0=2e-5
MATERIAL NAME=base NC300=4e18
In all examples, when MATERIAL appears first, it is considered as the

statement. When MATERIAL appears a second time in the first example, it is
considered as a localization parameter. In the second and third examples, the
localization parameters are REGION and NAME, respectively. Various other
parameters can be defined as the material statement. Examples of these
parameters are the band gap at room temperature (EG300), electron mobility
(MUN), electron (TAUN0) and hole (TAUP0) recombination lifetimes,
conduction band density at room temperature (NC300), among others.
3.3.6. Models
The physical models fall into five categories: mobility, recombination,

carrier statistics, impact ionization, and tunneling. The syntax of the model
statement is as follows:
62
MODELS <model flag> <general parameter> /

<model dependent parameters>
The choice of model depends on the materials chosen for simulation.

The example below activates several models.
MODELS CONMOB FLDMOB SRH

CONMOB is the concentration dependent model. FLDMOB is the parallel
electric field dependence model. SRH is the Shockley-Read-Hall model.
3.3.7. Light
When the lighting is important for a device (like in solar cells), there is the
ability to use a number of light sources and adjust their location, orientation and
intensity. The spectrum of the light can be described in all the necessary detail.
Polarization, reflectivity and raytrace are also among the simulator’s features.
3.3.8. Contact
Contact determines the attributes of the electrode. The syntax for contact is
as follows:
CONTACT NUMBER=<n> |NAME=<ename>|ALL
The following is an example of the contact statement.
CONTACT NAME=anode current
3.3.9. Numerical Method Selection
After the materials model specification, the numerical method selection

must be specified. From Figure 3.19., the only statement that applies to numerical
method selection is the method.
63
Figure 3.19. Atlas numerical method selection (Atlas User’s Manual,

2005: 2-8)
There are several numerical methods to calculate solutions to

semiconductor device problems. Three types of solution techniques are used in
Silvaco Atlas:
• decoupled (GUMMEL)
• fully coupled (NEWTON)
• BLOCK
The GUMMEL method solves for each unknowns by keeping all other
unknowns constant. The process is repeated till there is a stable solution. The
NEWTON method solves all unknowns simultaneously. The BLOCK method
solves some equations with the GUMMEL method and some with the NEWTON
method.
The GUMMEL method is used for a system of equations that are weakly
coupled and when there is linear convergence. The NEWTON method is used
when equations are strongly coupled with a and there is quadratic convergence.
The following example shows the use of the method statement.
METHOD GUMMEL NEWTON
In this example, the equations are solved with the GUMMEL method. If
convergence will not achieved, then the equations should not be solved using the
NEWTON method.
64
3.3.10. Solution Specification
After completing the numerical method selection, the next step is the
solution specification. Solution specification is broken down into log, solve, load,
and save statements, as shown in Figure 3.20.
Figure 3.20. Atlas solution specification (Atlas User’s Manual, 2005: 2-8)
3.3.10.1. Log
LOG saves all terminal characteristics to a file. DC, transient, or AC data

generated by a SOLVE statement after a LOG statement is saved.
The following shows an example of the LOG statement.
LOG OUTFILE=myoutputfile.log
The example saves the current-voltage information into myoutputfile.log.
3.3.10.2 Solve
The SOLVE statement follows the LOG statement. SOLVE performs a

solution for one or more bias points. The following is an example of the SOLVE
statement.
SOLVE B1=10 B3=5 BEAM=1 SS.PHOT SS.LIGHT=0.01 \

MULT.F FREQUENCY=1e3 FSTEP=10 NFSTEP=6
B1 and B3 specify the optical spot power associated with the optical beam
numbers 1 and 3, respectively. The beam number is an integer between 1 and 10.
65
BEAM is the beam number of the optical beam during AC photogeneration

analysis. SS.PHOT is the small signal AC analysis. SS.LIGHT is the intensity of
the small signal part of the optical beam during signal AC photogeneration
analysis. MULT.F is the frequency to be multiplied by FSTEP. NFSTEPS is the
number of times that the frequency is incremented by FSTEP.
3.3.10.3. Load and Save
The LOAD statement enters previous solutions from files as initial guess
to other bias points. The SAVE statement enters all node point information into an
output file.
The following are examples of LOAD and SAVE statements.
SAVE OUTF=SOL.STR
In this case, SOL.STR has information saved after a SOLVE statement.

Then, in a different simulation, SOL.STR can be loaded as follows:
LOAD INFILE=SOL.STR
3.3.11. Results Analysis
Once a solution has been found for a semiconductor device problem, the
information can be displayed graphically with TonyPlot. Additionally, device
parameters can be extracted with the EXTRACT statement, as shown in Figure
3.21.
Figure 3.21. Atlas results analysis (Atlas User’s Manual, 2005: 2-8)
66
In the example below, the EXTRACT statement obtains the current and
voltage characteristics of a solar cell. This information is saved into the
IVcurve.dat file. Then, TonyPlot plots the information in the IVcurve.dat file.
EXTRACT NAME="iv" curve(v."anode", I."cathode") /

OUTFILE="IVcurve.dat"
TONYPLOT IVcurve.dat
Figure 3.22. shows the sample IV curve plotted by TonyPlot.
Figure 3.22. Sample TonyPlot IV curve
67
3.4. Simple Simulation Source Code
All source codes programming the simulations which will be mentioned in

the following chapters are indicated in Appendix F. In order to intensify the
understanding, to help further development by others and to prevent unnecessary
repetitions and confusion, the following scheme used to present the code. All the
files contain main sections structured in the same way:
go atlas
# Definition of constants
# Mesh
# X-Mesh
# Y-Mesh
# Regions
# Electrodes
# Doping
# Material properties
# Models
# Light beams
# Solving
Each commented section is filled using code from its corresponding

subsections. For example for deriving the ISC and VOC of a simple InP cell, the
code becomes:
go atlas
# Mesh
mesh space.mult=1
# X-Mesh: surface=500 um2 = 1/200,000 cm2
x.mesh loc=-250 spac=50
x.mesh loc=0 spac=10
# Y-Mesh
# Vacuum
68
y.mesh loc=-0.1 spac=0.01

# Emitter (0.1 um)
y.mesh loc=0 spac=0.01
# Base (3 um)
# Regions
# Emitter
region num=1 material=InP x.min=-250 x.max=250 y.min=-0.1 y.max=0
# Base
region num=2 material=InP x.min=-250 x.max=250 y.min=0 y.max=3
# Electrodes
electrode name=cathode top
electrode name=anode bottom
# Doping
# Emitter
doping uniform region=1 n.type conc=2e18
# Base
doping uniform region=2 p.type conc=1e17
# InP
material material=InP EG300=1.344 PERMITTIVITY=12.5 AFFINITY=3.75
material material=InP index.file=InP.opt
# Models
models BBT.KL
# Light beams
beam num=1 x.origin=0 y.origin=-5 angle=90 \
power.file=AM0silv.spec wavel.start=0.21 wavel.end=4 wavel.num=50
# Solving
# Get Isc and Voc
solve init
solve b1=1
69
contact name=cathode current

solve icathode=0 b1=1
3.4.1. Silvaco Library
Silvaco maintains a property library of many materials common to

electronic devices. However, in order to push solar cell efficiency to higher levels,
researchers tend to use many exotic materials. For this purpose, Silvaco’s library
is uneffecieint since it isunder development and mostly incomplete.
The models used in this thesis are heavily dependent on the following
properties:
· Bandgap Eg (Eg-eV)
· Electron and hole density of states (Effective conduction band density of
states- Effective valence band density of states) NC (cm -3) and NV (cm-3)
· Electron and hole motilities MUN (cm2V-1s-1) and MUP (cm2V-1s-1)
· Lattice constant (a- Å)
· Permittivity (Dielectric constant (static))
· Electron and hole lifetimes TAUN (τn-s) and TAUP (τp-s)
· Electron affinity (c - eV)
· Radiative recombination rate COPT(cm3 s-1)
· Electron and hole Auger coefficients AUGN (Cn -cm6 s-1) and AUGP(Cp-
cm6 s-1)
· Optical parameters n (refractive index) and k (absorption index)
Values for most of these stated above have been provided by various
publications( burada alınan calısmaların belirtilmesi gerekebilir). As another part
of this thesis, a large number of such publications were analyzed. This collection
of information set has been identified, categorized and compared. Finally, the best
were selected and used in the simulations described in this thesis. Parameters, for
materials which were not found in publications, were mathematically
approximated. In addition, several wellstudied cells were also used as references
to provide calibration for these unknown values.
70
4.RESEARCH AND DISCUSSION Faruk KÜRKER
4. RESEARCH AND DISCUSSION
4.1. The Simple InP Cell
A material used in solar cells is InP. It produces quite high current (ISC ≅
9.04 mA/cm2) and a voltage of VOC ≅ 0.82 V. On this first attempt, the cell will
have the basic n–on–p structure shown in Figure 4.1:
Figure 4.1. Simple InP cell.
Isc = 4.52e-008*2.0e05 = 9.04e-3 µA/cm2 = 9.04 mA/cm2,

Voc=0.82 V.
71
Firstly, the mesh (Figure 4.2-4.3) is formed, taking special care to make it
denser near the junction and to have enough divisions per layer.
Figure 4.2. The mesh
Figure 4.3. Mesh defined for the InP whole, top and bottom.
72
Net Doping is shown in Figure 4.4 and the layer structure of the InP is
shown in Figure 4.5.
Figure 4.4. Net Doping for the InP
Figure 4.5. The layer structure of the InP.
73
The point in the I-V curve where the product of the voltage and the current
is at its peak is called the maximum power point. It is Pmax = Vmax.Imax. According
to IV curve of InP.
Imp ≅ 4.25e-8*2e5=9.5e-03 µA/cm2 = 9.5 mA/cm2,
Vmp ≅ 0.73 V
The point in the I-V curve where the product of the voltage and the current
is at its peak is called the maximum power point. It is P max = Vmax.Imax.
Pmax = I mpVmp
P max = 9.5*0.73 = 6.935 mW/cm2 = 6.935e-03 W/cm2 = 69.35 W/m2
Fill factor is is defined as follows,

Pmax I mpVmp
FF = =
I scVoc I scVoc
FF = 6.935 / (9.04*0.82) = 0.935
Power conversion efficiency (PCE) is the proportion of the maximum

power obtained to the power input.
Pmax I mpVmp
η= =
Pin Pin
Pin= 1365 W/m2 from AM0,
η = 69.35/1365= 5.08 %
74
Figure 4.6. IV curve of InP.
75
4.2. HETEROJUNCTION CELL
A material used in solar cells are Heterojunction cell. Heterojunction cell

will have the structure shown in Figure 4.7. and 4.8.,
Figure 4.7. Heterojunction prototype
76
Figure 4.8. Heterojunction cell
77
Firstly, the mesh (Figure 4.9-4.10) is formed, taking special care to make it
denser near the junction and to have enough divisions per layer.
Figure 4.9. The mesh
Figure 4.10. Mesh defined for the heterojunction cell whole, top and
bottom.
78
Net Doping is shown in Figure 4.11 and the layer structure of the
heterojunction cell is shown in Figure 4.12.
Figure 4.11. Net Doping for the heterojunction cell.
Figure 4.12. The layer structure of the heterojunction cell.
79
Figure 4.13. IV curve of heterojunction cell.
According to the figure 4.5, we can find Imax and Vmax points.
Imax ≅ Imp ≅ 1e-7*2e5=0.02,
Vmax ≅ 0.9,
Pmax = Imax*Vmax = Imp*Vmp,
Pmax ≅ 0.02*0.9 ≅ 0.018 W/cm2
Pin= 1365 W/m2 from AM0,
η=Pmax/Pin =(0.018 W/cm2)/(1365W/m2)= 0,131868=13,19 %
80
5.CONCLUSION Faruk KÜRKER
5. CONCLUSION
This thesis focused on the development of a solar cell model that

emphasizes the use of optical constants (refraction and extinction coefficients n
and k). The model used default settings for other parameters, such as permittivity,
affinity, radiative recombination rate, electron and hole lifetimes, electron and
hole density of states, and lattice constants. One area of future research is to
obtain measured data for the above parameters.
In this thesis a new solar cell structure is proposed. Unlike popular InGaP
and GaAs solar cells, InGaAs and InP structure is built in silvaco environment.
The designed solar cell is proposed for satellites. Space spectrum AM0 test is
done with 900 degrees for the solar cell.
13-15% range efficieny is obtained from the simulations.
81
5.CONCLUSION Faruk KÜRKER
82
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SILVACO International, Cited on 26 August 2010,
http://www.silvaco.com
Simple Cubic Lattice Structure, Cited on 26 August 2010,
http://en.wikipedia.org/wiki/File:Lattic_simple_cubic.svg
SZE S. M., 2001. Semiconductor Devices, 2nd edition, John Wiley & Sons, Inc,.
SZE, S. M., 1981. Physics of Semiconductor Devices, 2nd edition, John Wiley &
Sons, Inc,
UTSLER J., 2006. Genetic Algorithm Based Optimization Of Advanced Solar Cell
Designs Modeled In Silvaco Atlas, Master’s Thesis, Naval Postgraduate
School, Monterey, California.
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86
CURRICULUM VITAE
Faruk KÜRKER was born in Adana, in 1975. He completed his elementary

educationat Sıdıka Sabancı Ilkokulu, Adana. He went to high school at Adana 19
Mayıs Lisesi, Adana. He completed this education in 1992. He graduated from
Department of Electrical Electronics Engineering, Gaziantep University in 2000. He
is married and has two children.
His interest areas are automatic control systems, PLC…
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88
APPENDIX
Atlas Source Codes
A. Simple Inp Cell
Main Structure
go atlas
# Mesh
# X-Mesh
# Y-Mesh
# Regions
# Electrodes
# Doping
# Models
# Light beams
# Solving
#Mesh and X-Mesh
mesh space.mult=1

#Y-Mesh
# Vacuum
89
# Emitter (0.1 um)
# Base (3 um)
y.mesh loc=1.5 spac=0.3
#Regions
# Emitter
region num=1 material=InP x.min=-250 x.max=250 y.min=-0.1 y.max=0
# Base
region num=2 material=InP x.min=-250 x.max=250 y.min=0 y.max=3
#Electrodes
electrode name=cathode x.min=-250 x.max=250 y.min=-0.1 y.max=-0.1
electrode name=anode x.min=-250 x.max=250 y.min=3 y.max=3
#Doping
# Emitter
# Base
#Material Properties
# Vacuum
# InP
90
#Models
models BBT.KL TATUN TRAP.TUNNEL
#Light Beams
struct outfile=zInP.str
tonyplot zInP.str
#Solving
solve init
method gummel newton maxtraps=10 itlimit=25
solve b1=0.9
## Getting Isc for I-V curve points
method newton maxtraps=10 itlimit=100
solve b1=0.95
extract name="isc" max(i."cathode")
set isc=$isc
set i1=$isc/10
set i2=$i1+$isc/10
set i3=$i2+$isc/10
set i4=$i3+$isc/10
set i5=$i4+$isc/10
set i6=$i5+$isc/20
set i7=$i6+$isc/20
set i8=$i7+$isc/20
set i9=$i8+$isc/20
91
set i10=$i9+$isc/20
set i11=$i10+$isc/40
set i25=$i24+$isc/80-0.00001
##
log outfile=zInP.log
solve b1=0.95
contact name=anode current
## Pmax points
solve ianode=-$i25 b1=0.95
92
##
solve ianode=0 b1=0.95
log off
extract name="iv" curve(v."anode", i."cathode") outfile="IVcurvezInP.dat"
tonyplot IVcurvezInP.dat
quit
93
B. Heterojunction Solar Cell
Main Structure
go atlas
# Mesh
# X-Mesh
# Y-Mesh
# Regions
# Electrodes
# Doping
# Models
# Light beams
# Solving
#Mesh and X–Mesh
mesh space.mult=1

#Y–Mesh
# Vacuum
# Window (0.03 um)
# Emitte (0.05 um)
94
# Base (0.55 um)
# BSF (0.03 um)
# Tunnel emitter (0.015 um)
# Tunnel base (0.015 um)
# Window (0.05 um)
# Emitter (0.1 um)
# Base (3 um)
# BSF (0.1) um)
# Tunnel emitter (0.015 um)
# Tunnel base (0.015 um)
# Window (0.05 um)
# Emitter (0.1 um)
# Substrate (300 um)
y.mesh loc=303.4 spac=50
#Regions
# Window
region num=1 material=AlGaAs x.min=-250 x.max=250 y.min=-0.72 y.max=-0.69
95
# Emitter
region num=2 material=InGaAs x.min=-250 x.max=250 y.min=-0.69 y.max=-0.64
# Base
region num=3 material=InGaAs x.min=-250 x.max=250 y.min=-0.64 y.max=-0.09
# BSF InAlAsP(AlInGaP)
region num=4 material=InAlAsP x.min=-250 x.max=250 y.min=-0.09 y.max=-0.06
# Tunnel emitter
region num=5 material=InP x.min=-250 x.max=250 y.min=-0.06 y.max=-0.045
# Tunnel base
region num=6 material=InP x.min=-250 x.max=250 y.min=-0.045 y.max=-0.03
# Window
region num=7 material=InGaAs x.min=-250 x.max=250 y.min=-0.03 y.max=0.02
# Emitter
region num=8 material=InP x.min=-250 x.max=250 y.min=0.02 y.max=0.12
# Base
# BSF
region num=10 material=InGaAs x.min=-250 x.max=250 y.min=-3.12 y.max=3.22
# Tunnel emitter
# Tunnel base
# Window
# Emitter
region num=14 material=Ge x.min=-250 x.max=250 y.min=3.3 y.max=3.4
# Substrate
region num=15 material=Ge x.min=-250 x.max=250 y.min=3.4 y.max=303.4
#Electrodes
electrode name=cathode x.min=-250 x.max=250 y.min=-0.72 y.max=-0.72
96
electrode name=anode x.min=-250 x.max=250 y.min=303.4 y.max=303.4
#Doping
# Window
doping uniform region=1 n.type conc=1.95e18
# Emitter
# Base
doping uniform region=3 p.type conc=1.5e17
# BSF
# Tunnel emitter
# Tunnel base
# Window
# Emitter
# Base
# BSF
# Tunnel emitter
# Tunnel base
# Window
# Emitter
97
# Substrate
#Material Properties
# Vacuum
# Ge
material material=Ge EG300=0.661 PERMITTIVITY=16.2 AFFINITY=4
material material=Ge MUN=3900 MUP=1900
material material=Ge NC300=1.0e19 NV300=5.0e18
material material=Ge index.file=Ge.opt
# InP
# InGaAs
material TAUN=1 TAUP=1 COPT=0 AUGN=0 AUGP=0
material material=InGaAs EG300=0.571 PERMITTIVITY=14.2 AFFINITY=4.13
material material=InGaAs MUN=5400 MUP=200
material material=InGaAs NC300=1.15e17 NV300=8.12e18
material material=InGaAs index.file=InGaAs.opt
#AlGaAs
material TAUN=1e-9 TAUP=1e-8 COPT=1.8e-10 AUGN=5.0e-30 AUGP=1e-31
material material=AlGaAs EG300=2.14 PERMITTIVITY=10.202 AFFINITY=3.507
material material=AlGaAs MUN=256.15 MUP=116.35
material material=AlGaAs NC300=2.77e19 NV300=1.615e18
material material=AlGaAs index.file=AlGaAs9.opt
# AlInGaP (=InAlAsP)
98
material material=InAlAsP EG300=2.4 PERMITTIVITY=11.7 AFFINITY=4.2
material material=InAlAsP MUN=2150 MUP=141
material material=InAlAsP NC300=1.2e20 NV300=1.28e19
material material=InAlAsP index.file= AlGaAs0.opt
#Models
models BBT.KL
TATUN TRAP.TUNNEL
#Light Beams
#Solving
solve init
method gummel newton maxtraps=10 itlimit=25
solve b1=0.9
## Getting Isc for I-V curve points
solve b1=0.95
extract name="isc" max(i."cathode")
log outfile=heterocell.log
solve b1=0.95
contact name=anode current
solve ianode=3.1654e-7 b1=0.95
99
solve ianode=0 b1=1
log off
extract name="iv" curve(v."anode", i."cathode") outfile="IVcurveheterocell.dat"
tonyplot IVcurveheterocell.dat
quit
100

Microfabrication Based Design and Simulation of Heterojunction Solar Cell

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ÇUKUROVA UNIVERSITY

INSTITUTE OF NATURAL AND APPLIED SCIENCES

MICROFABRICATION BASED DESIGN AND SIMULATION OF

DEPARTMENT OF COMPUTER ENGINEERING

MICROFABRICATION BASED DESIGN AND SIMULATION OF

DEPARTMENT OF COMPUTER ENGINEERING

……………….................... ………………………......... …….......................................

Prof. Dr. İlhami YEĞİNGİL

MICROFABRICATION BASED DESIGN AND SIMULATION OF

Supervisor : Assist.Prof.Dr. Mutlu AVCI

Key Words: Solar cell, photovoltaic device, heterojunction, Silvaco Atlas.

YÜKSEK LİSANS TEZİ

HETEROJONKSİYON GÜNEŞ PİLİNİN TASARIMI VE

Danışman : Yrd. Doç. Dr. Mutlu AVCI

Güneş pilleri küçük ağırlıkları ve yüksek miktardaki güç yoğunluğundan

Anahtar Kelimeler: Güneş pili, fotovoltaik aygıt, heterojonksiyon, Silvaco Atlas.

Figure1.1. Materials classified by conductivity........................................................ 2

Symbol Description Unit

1.1. Basic of Semiconductor Physics

1.1.1. Classification of Materials

We categorize material according to their electrical properties as conductors,

Figure 1.1 Materials classified by conductivity (Sze, 2001: 8)

Semiconductors are found in elemental or compound form. Silicon (Si) and

semiconductors are Aluminum Phosphide (AlP), Gallium Nitride (GaN), Indium

Figure 1.2. Partial periodic table

1.1.2. Atomic Structure

Figure 1.3. Order of electron shell filling

The arrangement of electrons in a Silicon atom is shown in Figure 1.4. The

Figure 1.4. Silicon Electron Shell Diagram

As seen in table 1.1. electron configuration of IIIA, IVA, VA group of

Table 1.1. Electron Configuration of IIIA, IVA, VA Group Elements

Atomic Number Symbol Element No. Of electrons/shell

51 Sb antimony 2, 8, 18, 18, 5

83 Bi bismuth 2, 8, 18, 32, 18, 5

Figure 1.5. Covalent bonds of Si atom (Michalopoulous, 2002: 11)

Energy bands form one of the fundamental concepts of semiconductor

Figure 1.6. Band gap diagrams (Michalopoulous, 2002: 8)

Semiconductors have band gaps which are dependent on the material.

1.1.3. Electrons and Holes

A semiconductor at absolute zero temperature cannot conduct heat or

Figure 1.7. Structure of n-type and p-type doping (Michalopoulous, 2002:

An intrinsic semiconductor is a pure semiconductor with a insignificant

Table 1.2. Definitions of n and p

n Number of Electron / cm3

In the case of an intrinsic semiconductor, the case shown below occurs:

Table 1.3. Intrinsic carrier concentration at room temperature (300K)

1.1.4. Direct and Indirect Band Gaps

1.1.5. Fermi Level

Where E is the electron energy, EF is the Fermi level, k is Boltzmann’s

Figure 1.9. Fermi distribution (Michalopoulous, 2002: 15)

Figure 1.10. Fermi level: intrinsic case (Pierret, 1996: 42)

Figure 1.11. Fermi level: n-type case (Pierret, 1996: 42)

Figure 1.12. Fermi level: p-type case (Pierret, 1996: 42)

1.2. Solar Cell Fundamentals

1.2.1. Photovoltaic Effect

1.2.1.1. Electromagnetic Spectrum

Light is electromagnetic radiation. The frequency of light decides its color.

Figure 1.13. The electromagnetic spectrum

Table 1.5. Approximate wavelength of various colors in vacuum

The Visible Light Spectrum

Color Wavelength (nm)

Violet 380 - 435