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Physica B: Condensed Matter 543 (2018) 14–17 Contents lists available at ScienceDirect Physica B: Condensed Matter

Contents lists available at ScienceDirect

Physica B: Condensed Matter

journal homepage: www.elsevier.com/locate/physb

Matter journal homepage: www.elsevier.com/locate/physb Modeling the strain impact on refractive index and optical

Modeling the strain impact on refractive index and optical transmission rate

Asma Darvishzadeh a , Naif Alharbi b , Amir Mosavi c , d , Nima E. Gorji e ,

a Department of Chemistry, Tehran Central Branch, Islamic Azad University, Tehran, Iran

b School of Industrial Engineering, Umm Al-Qura University, Saudi Arabia

c Institute of Structural Mechanics, Bauhaus University Weimar, Weimar, Germany

d Institute of Automation, Obuda University, Budapest, Hungary

e Optoelectronics Research Group, Faculty of Electrical and Electronics Engineering, Ton Duc Thang University, Ho Chi Minh City, Viet Nam

T
T

ARTICLE INFO

Keywords:

Strain Refractive index Optical transmission Re ection Graphene Nanotube

ABSTRACT

We propose a new and simple modeling approach for strain impact on the transmission and re ection rate of semiconductor devices. The model is applied to graphene or carbon nanotubes deposited on substrates. Any change in transmission rate by strain can directly impact on the short-circuit current density of an electronic device. The nanolayers of graphene and nanotubes are often used as the excellent replacement for the con- ventional metallic contacts. However, these nanolayers are sensitive to in-plain and out-plain strain. It is shown that the transmission rate is signi cantly reduced by the strain. We have also calculated the change in the refractive index under in-plain strain and the consequent change in re ection rate. The modeling can be ex- tended to calculate the change in the refractive index under out-plain strain. Furthermore, one can calculate the change in short-circuit current density of the full device (i.e. solar cell) under in-plain or out-plain strains. A practical outcome of our modeling approach is to optimize the thickness or concentration of graphene and carbon nanotube to en extent which is less sensitive to any thermo-mechanical strain. This leads the reader to strain tuning techniques which are rarely applied to sensors, solar cells or photodetector devices through fab- rication and characterization process.

1. Introduction

Graphene and nanotubes were often proposed as the environment friendly and cost-e ective materials for the conventional metallic back contacts in solar cells [1 , 2 ]. Various optoelectronic devices are now using nanostructures of graphene and nanotubes as the front, back, or bu er layer in solar cells, light sensors, photodetectors, etc. [ 3 ,4 ]. High light transparency for a wide range of wavelengths, good thermal conduction, excellent electrical conduction and simple deposition has attracted the attention to this materials for optoelectronic applications. Higher light transparency will increase the transmission rate which will directly impact on the short circuit current density of the device. We have already applied this concept on CdTe and CIGS thin lm solar cells [ 5 ,6 ]. Nevertheless, the atomically thin nature of graphene and nano- tubes makes them vulnerable against strain and stress. Guinea has proposed that graphene shows unique feature in responding to strain which is the inuence of long range strains on it's electronic properties [ 7 ] Strain is induced on nanolayers during normal operation or through electrical characterization and heat dissipation process. Levy et al. have proposed theoretical calculation showing that strain can be used to engineer graphene electronic states through the creation of a

Corresponding author. E-mail address: nimaegorji@tdt.edu.vn (N.E. Gorji).

Received 4 August 2016; Received in revised form 23 April 2018; Accepted 4 May 2018

Available online 11 May 2018 0921-4526/ © 2018 Elsevier B.V. All rights reserved.

pseudo magnetic eld due to massless Dirac fermion-like band struc- ture and particular lattice symmetry of graphene [8 ]. Nevertheless, the e ect of strain on optical properties of these layers has not been widely investigated via semi-classical modeling approaches though mostly by nite element simulation analysis [ 9 ]. Especially in photovoltaic de- vices, the dependence of exciton de-bounding on lm morphology and lattice strain has yet to be modeled and further explored. McDaniels et al., have shown that both o set on bandgap and lattice strain have a signi cant impact on charge transfer dynamics [ 10 ]. The refractive index is very useful parameter to design the anti-re ection coating on the surface of solar cells or photodetectors thus the proposed modeling provides a handy approach for designing optoelectronic devices with less vulnerable design but also with robust absorption of shining light. Tran et al. have proposed a modeling approach to calculate the impact of refractive index and bandgap of GeSn alloys for the wavelength range of 1500 2500 nm [11 ]. Vazinishayan et al. have performed Finite Element simulation analysis to calculate the mechanical strain e ect on the optical properties of ZnO nanowire (NW) before and after embed- ding ZnS nanowire into ZnO nanowire [9 ]. They have shown that in- creasing the strain caused by external load (i.e. by applying external electrodes) changes the light re ection, transmission and absorption.

A. Darvishzadeh et al.

We have already developed a quantitative approach for the modeling of optical loss in thin lm solar cells by connecting the transmission/re- ection rate to short-circuit current density [ 6 ,12 ]. The optical trans- mission rate is obtained only from optical constants such as refractive index and extinction coe cients which promises a simple approach to optimize the absorption capability of a device only by calculating the re ection rate based on optical constants of every layer of a device.

2. Modeling approach

We present a novel modeling approach to investigate the e ect of strain induced in-plain (e ) and out-plain ( e ) on light Transmission ( T (λ )) or Reection ( R( λ )) from a nanostructure material deposited on a substrate. The rst e ect of strain would be on Refractive Index (n ) and Bandgap Energies ( E g ) of the material which is in turn related to optical transmission/re ection or absorption coecient ( α( λ )) at a range of wavelengths. Here we ignore the change in bandgap of the materials under strain in order to purely the strain e ect on the optical para- meters of the device [ 13 ]. The eect of in-plain strain on refractive index of a materials is given by Lorentz-Lorentz equation [ 11 ]

(

n

2

1)(

n

2

+

2)

6 n

e

Δ =

(1)

where in Eq. (1) , e is the in-plane strain can be positive or negative for tensile and compressive strain, respectively. Δ n = n n 0 , therefore, the new refractive index after applying the strain is n = Δ n + n 0 . On the other hand, the refractive index is given by Sellmeier equation [5 ] describing the spectral dispersion relationship,

n

2

n

(2)

Here, we satisfactory approximation neglects the other terms of the full Sellmeier equation which is the summation of innite terms. According to Kosyachenko et al. citeK1 A = 0.6962, B = 0.4079, λ 1 = 68 nm, and λ 2 = 116 nm. Having the optical constants of refractive index and extinction coe cient of a layer we can calculate the re ection rate as considered in our previous publications [5 ],

2

0

=

1

2

+

λ

2

λ

2

1

+

λ

2

λ

2

1

+…

(

nn

1

2

2

)( +−

κκ

1

2

)

2

R =

(3)

Then we can calculate the transmission rate through T = 1 R but also taking into consideration the absorption coe cient. One can neglect the absorption rate in the layer if it is too thin like a single atomic graphene layer.

( ) =−(1 ( )) exp(αλd( ) )

where α( λ ) is the absorption coe cient for a range of wavelengths and d is the thickness of the layer. We know that α( λ ) is related to extinction

coe cient via α( λ ) =

() . The refractive index and extinction coef-

cients are available for any material reported in various literature. For any multi-layer device, we can calculate the re ection rate as given in above modeling approach and then we calculate the transmission rate or the impact of strain on transmission and re ection. If the model is applied to solar cell, one can calculate the short-circuit current density (J sc ) based on T( λ) and from there to calculate the change in both current density and conversion e ciency ( Δ J sc & Δη).

(4)

i

(

nn +

1

2

2

)( ++

κκ

1

2

)

2

4 πκ λ

λ

3. Modeling results and discussion

The presented model is applied on several devices presented in lit- erature. For example, we will investigate the strain e ect on a device made of mono or multi layer of graphene on a ZnO substrate [ 14,15 ], or monolayer of graphene deposited on a Fused Silia [ 16 ], and single walled carbon nanotube (CNT) deposited on ITO substrate [ 17 ]. All these devices have applications in thin lm solar cells made of CdTe or

15

Physica B: Condensed Matter 543 (2018) 14–17

of CdTe or 15 Physica B: Condensed Matter 543 (2018) 14–17 Fig. 1. Refractive index and

Fig. 1. Refractive index and extinction coecients of graphene or nanotube and various conductive substrates used for such devices. The inset shows a typical and simple double layer device made of nanolayer on a conductive substrate. The nanolayer has been shown in 2D to be seen from cross section view [6].

CIGS materials as the back or front contract replacement for metallic counterparts. Fig. 1 shows the refractive index and extinction coe cient of var- ious graphene and CNT layers as well as their substrates such as ITO, TCO, ZnO reported in the literature [18 ,19 ]. The inset shows the schematic structure of a double layer device with graphene or CNT on top. These data were also used in our previous publications for calcu- lating the optical loss in hybrid thin lm solar cells [5 ,6 ]. The strain can be applied by applying external electrodes on graphene. Such a struc- ture can be further extended to thin lm solar cells where graphene or nanotube is used as the front or back contact electrode. As shown in Fig. 1 , the refractive index of the nanolayer (here as graphene) for λ = 400 650 nm is smaller than other ranges. However, still it is higher than the refractive index of conductive substrate layers. This makes the graphene layer more vulnerable to strain than the substrate layers ac- cording to Eq. (1) where a direct relationship is found between the Δ n and e . The refractive index of CNT materials can be extracted from ellipometry measurements in the literature or for example, from the transmission rate provided in Ref. [18 ]. Fig. 2 shows the variation of refractive index impacted by several in- pain strain levels (e = 0, 0.24%, 0.80%, 1.2%). The graphene/ZnO device was selected for this analysis by inserting the refractive index

A. Darvishzadeh et al.

A. Darvishzadeh et al. Fig. 2. The change in refractive index of nanostructure/substrate device for several

Fig. 2. The change in refractive index of nanostructure/substrate device for

several in-plain strain values compared to case with no strain according to Eq.

(1) : n 2 = Δ n + n 0 .

values given in Fig. 1 . A similar trend is expected for CNT/TCO device. We have calculated the new refractive index after being impacted by the in-plain strain. This n 2 will be then inserted in Eqs. (3) and (4) . The modeling result indicates that a higher in-plain strain level causes higher refractive index as calculated according to Eq. (1) . The shift in n values occurs for a wide range of wavelength less signi cant in visible range. The change in n is more signicant for shorter wavelengths around 300400 nm. Therefore, for solar cell application, the strain impact on short current density would not be signicant though not negligible. However, for sensors or IR photodetectors that would be a considerable change from strain on the light responsiveness of the de- vice. Fig. 3 shows the re ection rate calculated for two di erent inter- faces of air/graphene & graphene/ZnO for the cases without in-plain strain and with strain of 0.24%. We have not shown the other strain values to avoid making the curves busy. The re ection rate is not changing much for the smaller wavelengths but have a relatively mild change for longer wavelengths. The change in R (λ ) is even more visible

wavelengths. The change in R ( λ ) is even more visible Fig. 3. The re

Fig. 3. The re ection rate from air/graphene & graphene/ZnO interface or the same structures with CNT/ITO calculated for several in-plain strain percentage compared to case with no strain following Eq. (3) .

Physica B: Condensed Matter 543 (2018) 14–17

from graphene/ZnO interface which comes from relatively high dif- ference between the refractive index of graphene and ZnO layers. We note that to make the calculations simple as, we have ignored the non- linear behavior of strain in higher levels. Graphene and nanotube show non-linear strain (in- or out-plain) in higher deformation levels. We keep our simulations in a linear and discrete mode to make it rather possible for further investigations. Clearly the general formulation will not change since one can replace the e values variable by elastic constants and insert a variable non-linear parameter for it in Eq. (1) . Having the reection rate for di erent strain levels, we can calcu- late the transmission rate for new n 2 values obtained by Eq. (1) . Fig. 4 shows the change in transmission rate of two devices under in-plain strain. We calculated the T( λ ) for graphene and CNT based devices. Transmission rate shows very sensitive to strain level. A less change is observed for e = 0.24% in both devices. However, a strong strain of e = 1.2% can be very destructive to transmission rate in both devices. The change is visibly high for increased strain as the refractive index shifts up accordingly. In both curves, decrease in T (λ ) is signi cant for λ = 300 400 nm, less for visible range and negligible for λ > 800 nm. This clari es that a photodetector might be strong enough against strain while a UV sensor might be well kept protected against strain. The data are consistent with the ones experimentally measured in Ref. [ 18 ].

4. Further investigations and suggestions

Following the proposed modeling approach, one can further extend the model to calculate the change in refractive index caused by out- plain strain [11 ],

2 e C 12 e = − ⊥ C 11
2 e
C
12
e = −
C 11

(5)

Therefore, the change in refractive index under out-plain strain will be,

(

n

1)(

n

+

2) e C

11

6 n

2 C

12

.

2

2

Δ =

(6)

where C 11 and C 12 are elastic constants. Another extension could arise by connecting the strain-induced transmission rate to current density and the loss in current density of a solar cells via [ 5 ],

n

J λ =q

(7)

where Δλ is the interval between the adjacent wavelengths in the spectrum irradiated with Φ in density of photons with energy h υ, with incident photon ux Φ in / hυ for every single photon. Then, the loss percentage of short-circuit current density is given by Δ J sc , due to light re ection/absorption is given by,

() Δ .

Φ λ

in

i

λ

i

sc

()

()

i

()

J d

sc

=

J ( d ) J °

sc

sc

100%

Δ

(8)

where J sc ° is the primary measured value reported in literature for a typical device. One can calculate the impact of in-plain, out-plain or both strain on the nal current density and e ciency via above for- mulations [ 20 ]. The proposed procedure can be used to predict the device degradation/recovery under stressing condition [21 23 ].

1

5. Conclusion

The impact of strain on the optical transmission and re ection rate of a double layered device has been modeled through a simple ap- proach. The connection point of the calculation was change in re- fractive index under strain. This modeling approach is quite simply but very useful for optimizing the device electrical and optical functionality and the sensitivity of the device operation to thermo-mechanical strain. The model is simple as it only requires the refractive index and ex- tinction coe cient of the device components. We have applied the

16

A. Darvishzadeh et al.

Physica B: Condensed Matter 543 (2018) 14–17

et al. Physica B: Condensed Matter 543 (2018) 14–17 Fig. 4. Transmission rate variation by in-plain

Fig. 4. Transmission rate variation by in-plain strain versus a range of wavelength for graphene and nanotube based devices separately following Eq. (4) .

model to graphene/ZnO and CNT/TCO devices as the simplest devices which are widely used in optoelectronics in form of substrate or back contact layers for solar cells, sensors or photodetectors. The calculations show that strain can signi cantly reduce the transmission rate and dramatically increase the reection rate [ 24 26 ]. The practical out- come of the modeling is to optimize the transparent layers less vul- nerable to deformations and lattice strain.

References

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17

[19]

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