Optik 130 (2017) 517524

Contents lists available at ScienceDirect

Optik
journal homepage: www.elsevier.de/ijleo

First principles study of the structural and optoelectronic

properties of the A2 InSbO6 (A = Ca, Sr, Ba) compounds
Kin Mun Wong a, , Muhammad Irfan b , Asif Mahmood c , G. Murtaza d
a
Independent Researcher/Scientist, Member of the American Physical Society, MD, 20740-3844, United States
b
Department of Physics, Allama Iqbal Open University, Islamabad, Pakistan
c
Chemical Engineering Department, College of Engineering, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
d
Department of Physics, Islamia College Peshawar, KPK, Pakistan

a r t i c l e i n f o a b s t r a c t

Article history: Different physical properties of the double perovskite A2 InSbO6 (A = Ca, Sr, Ba) compounds
Received 29 August 2016 are investigated using the full potential linear augmented plane wave method within the
Accepted 25 October 2016 density functional theory (DFT) where different generalized gradient approximations are
used for approximating the exchange-correlation effects. Importantly, the DFT calculated
Keywords: structural indexes are in close agreement with the experimental data. The compounds show
Double perovskites a semiconductor nature with a direct bandgap where the upper valence band is mainly
Direct bandgap
consist of the O-p state, and the lower part of the conduction band is composed of the
Chemical bonding
Sb-s state. Furthermore, the electron charge density plots show that the chemical bonding
Dielectric function
Reectivity is partially covalent and ionic. From the DFT calculated optical properties, it is clear that
Optical conductivity the A2 InSbO6 (A = Ca, Sr, Ba) compounds strongly absorb and reect the incident radiation
in the visible and ultraviolet range and can therefore be effectively used in optoelectronic
devices .
2016 Elsevier GmbH. All rights reserved.

1. Introduction

Double perovskites with the general chemical formula A2 MMX6 are well-known and extensively studied structure types
in materials science. The double perovskite structure is so-named because the unit cell is twice that of a normal perovskite
structure. In its general formula, the constituent element A generally represents alkali earth metals whereas the elements
M and M are transition metals, and the element X represents a chalcogen [1]. In addition, double perovskites have the
capacity to incorporate most of the elements in the periodic table, with a few exceptions, such as the noble gas elements,
phosphorus and beryllium.
Double perovskite compounds are vastly studied due to their half metallic behavior and large magneto-resistance [1,2]
where these compounds are also important for solar cells and other optoelectronic devices [3]. Furthermore, interest of
scientists in antimony (Sb) based double perovskites has grown due to their interesting magnetic and electrical properties
[4,5]. Some of these materials, such as the A2 InSbO6 (A = Ca, Sr, Br) compounds are also being investigated as substrates for
synthesizing thin lms of high Curie temperature (Tc ) superconductors [6,7]. These compounds also have crystallographic
interest additional to their technological application [811].

Corresponding author.
E-mail addresses: km2002wong@gmail.com, km2002wong@yahoo.com.sg, kmwong@kinmunwong.me (K.M. Wong).

http://dx.doi.org/10.1016/j.ijleo.2016.10.139
0030-4026/ 2016 Elsevier GmbH. All rights reserved.
518 K.M. Wong et al. / Optik 130 (2017) 517524

Fig. 1. Crystal structures of the double perovskite A2 InSbO6 (A = Ca, Sr, Ba) compounds in the cubic (Fm-3m) structure.

The stability of the A2 MMO6 ordered double perovskite structure the cation M and M sites has been studied by Anderson
et al. [12]. Conversely, the crystal structure of the double perovskite had been explored in various studies where Lavat and
Bara [6], Tauber et al. [7] and Wittmann et al. [13] had reported that the Sr2 InSbO6 compound adopts a double unit cell

with 2ao . In another study, Fu and Ijdo [14] reported its structure to be monoclinic with ao b 2 ao , c 2 ao , and

= 90 , where ao is the unit cell constant of the cubic aristotype. However, Fesenko et al. [15] reported that the Sr2 InSbO6
compound is of the cubic aristotype. Similarly, the Ba2 InSbO6 compound was reported as the cubic aristotype by Tauber
et al. [7], Wittmann [13], Fesenko et al. [15], and Zheng et al. [16], whereas both Sleight and Ward [17] and Lavet and Baran
[6] reported that the Ba2 InSbO6 system adopts an ordered double perovskite structure (where a = 2ao ). On the other hand,
Shaheen and Bashir studied the crystal structures of the A2 InSbO6 (A = Ca, Sr, Ba) compounds in detail through the X-ray
diffraction and concluded that the Ca2 InSbO6 A2 InSbO2 and Sr2 InSbO6 compounds exist as the monoclinic structure, whereas
the Ba2 InSbO6 compound exists as the cubic structure [18] with a lattice constant of 8.29 . Although these compounds have
been experimentally investigated, however, to the best of our knowledge, theoretical study had not been performed to
explore the electronic and optical properties of these important A2 InSbO6 compounds.
In this manuscript, the structural parameters and the electronic and optical properties of the A2 InSbO6 compounds were
investigated using the density functional theory (DFT) where this work addresses the lack of theoretical data regarding these
compounds. Furthermore, the DFT calculated results in this paper could provide reference data for further theoretical and
experimental research.

2. Methodology

Although the electronic structures of solid state materials can be obtained from experimental spectroscopic scanning
capacitance microscopy techniques as demonstrated by K. M. Wong [19] and [20]. However, the important structural and
optoelectronic properties of the A2 InSbO6 (A = Ca, Sr, Ba) compounds are investigated by the widely-used full potential
linearized augmented plane wave (FP-LAPW) ab-initio method as implemented in the WIEN 2K package. This is a precise
and efcient approach of solving the Kohn-Sham equations within the framework of DFT [21] and for simulating the ground
state properties of materials as demonstrated by K.M. Wong et al. [22,23]. The suitable exchange-correlation potential [24]
was employed to calculate the total energy. In addition, the Engel-Vosko GGA (EV-GGA) [25] formalism was used for the
calculation of the electronic properties of the compounds to avoid the WC-GGA underestimation of the bandgap. Inside
the Mufn-Tin (MT) spheres, the maximal value of the angular expansion for the wave function is up to lmax = 10 and the
potential is spherically symmetric inside the MT spheres, whereas outside of the MT spheres, the potential is constant. The
parameter for the secular matrix determination is RMT *Kmax = 7. In addition, we applied a mesh of 1000 k-points in the whole
Brillouin Zone.

3. Results and discussion

3.1. Structural properties

The double perovskite A2 InSbO6 (A = Ca, Sr, Ba) cubic (Fm-3m ) compound crystal structure is shown in Fig. 1. In the
crystal, the A2+ cations are located at positions (1/4, 1/4, 1/4), whereas the In and Sb cations are located at (0, 0, 0) and (1/2,
1/2, 1/2), respectively. Conversely, the O anion is located at (0, 1/4, 3/4) in the unit cell.
The structural properties of the A2 InSbO6 (A = Ca, Sr, Ba) compounds are computed using an energy minimization pro-
cedure [26]. The optimization plots of the A2 InSbO6 (A = Ca, Sr, Ba) compounds are presented in Fig. 2 where the local
minimum values of the tted curve are the ground states of the compounds. At the ground state, the structural parameters
are computed and these structural parameters are calculated using the unit cell volume at ambient pressure. The structural
 K.M. Wong et al. / Optik 130 (2017) 517524 519

Fig. 2. Optimization curves of the A2 InSbO6 (A = Ca, Sr, Ba) compounds.

Table 1
Experimental and the calculated values of the lattice constant, a0 (), bulk modulus, Bo (GPa), pressure derivative of Bo (BP ), optimization volume, Vo (a.u.3 ),
and the ground state energy, Eo (Ry).

Compounds Vo (a.u.3 ) a0 () Bo (GPa) BP Eo (Ry)

Experimental This work

Ca2 InSbO6 906.60 7.99 [27] 8.12 188 5.00 28353.19

Sr2 InSbO6 914.36 8.095 [13] 8.15 181 5.00 38350.11
Ba2 InSbO6 951.55 8.29 [18], 8.25 [6], 8.269 [17] 8.26 156 4.86 58187.14

parameters, including the lattice constant, ao (), bulk modulus, Bo (GPa), optimization volume, Vo (a.u.3 ) and the ground
state energy, Eo (Ry ) are listed in Table 1.
On the other hand, it is observed that the ao values of the A2 InSbO6 (A = Ca, Sr, Ba) compounds increase in the
following trend: ao (Ca2 InSbO6 ) < ao (Sr2 InSbO6 ) < ao (Ba2 InSbO6 ). The above trend in the A2 InSbO6 compounds can be
explained by considering only the atomic radii of the Ca, Sr, and Ba elements, that is, R(Ca) = 1.94 , R(Sr) = 2.19 , and
R(Ba) = 2.53 . Since the atomic radii increases monotonically from Ca to Ba and the In, Sb, and O atoms are the same
in all three compounds, therefore with increasing atomic size of the Ca, Sr, and Ba elements in the A2 InSbO6 (A = Ca,
Sr, Ba) compounds, the lattice constant increases. Conversely, the Bo (bulk modulus) value decreases in the sequence
Bo (Ca2 InSbO6 ) > Bo (Sr2 InSbO6 ) > Bo (Ba2 InSbO6 ), which is inverse to the sequence as observed for the ao corresponding to
the compounds. The decrease of the Bo values corresponding to the A2 InSbO6 (A = Ca, Sr, Ba) compounds is in agreement
with the relationship Bo Vo1 , where Vo is the unit cell volume, which increases monotonically from the Ca2 InSbO6 to the
Ba2 InSbO6 compounds as observed in Table 1. In addition, Table 1 shows that the present results are in good agreement
with the experimental results [6,13,17,18,27]. Furthermore, the calculated value of the bulk modulus is also in agreement
with the theory that Bo (GPa) decreases from the element Ca to Sr to Ba. This shows that these double perovskites become
softer with the change of the cation from Ca to Sr to Ba in the A2 InSbO6 (A = Ca, Sr, Ba) compounds.

3.2. Electronic properties

The calculation of the band structure (BS), the total and partial density of states, and the electron density provides valuable
information about the electronic character and properties of the A2 InSbO6 compounds.

3.2.1. Band structure

The band structure calculations along the high symmetry crystallographic direction, using the EV-GGA [25] approximation
for the Ca2 InSbO6 , Sr2 InSbO6 , and Ba2 InSbO6 compounds are depicted in Fig. 3. The results show that the three materials
520 K.M. Wong et al. / Optik 130 (2017) 517524

Fig. 3. Band structure calculations of the A2 InSbO6 (A = Ca, Sr, Ba) compounds.

have direct energy bandgaps of 1.94 eV, 1.78 eV, and 1.34 eV, respectively, where the valence band (VB) maxima and the
conduction band (CB) minima are at the  point in the Brillouin zone. In addition, the bandgap width decreases with the
change of the cation from Ca to Sr to Ba. This decrease in the bandgap can be attributed to the shift of the conduction bands
toward the Fermi level (EF ) when the cation changes from Ca to Ba and also because the atomic size increases in going from
Ca to Ba. Importantly, materials with a bandgap between 1.8 eV and 3.1 eV work well in visible light device applications
[3,13].

3.2.2. Density of states

The total and partial density of states (TDOS and PDOS) of the Ca2 InSbO6 , Sr2 InSbO6 and Ba2 InSbO6 compounds are
presented in Fig. 4. It was observed that the various bands appear in the energy range of 20 eV to 10 eV due to the large
contribution of the In-d and the Ca-p, Sr-p and Ba-p states and the small contribution of the O-s states. The next distinct
region in the DOS plot is located in the energy range from 10 eV to 0 eV, that is, up to the Fermi level. The main contribution
in this region originates from the O-p state with a minor contribution of the Sb-p and Sb-s states. On the other hand, the
next broader band is extended from 0 eV to 10 eV and in this region, the major contributors in all the three compounds are
the Ca-d, Sr-d and Ba-d states, respectively, with a little contribution from the Sb-s states. The last broad region is extended
from 10 eV to 15 eV owing to the large contribution of the Ba-d state and the O-p state in the Ba2 InSbO6 compound.

3.2.3. Electronic charge density

The calculation of the electronic charge density using the rst principles approach is applied to describe the bonding
nature of the solids [28]. The charge densities for the A2 InSbO6 compounds are calculated in the (1 1 0) plane and is shown
in Fig. 5(a)(c). In addition, the scale of Fig. 5 shows the bonding among the various atoms.
The charge distributions for the Ca2 InSbO6 , Sr2 InSbO6 and Ba2 InSbO6 compounds as shown in Fig. 5(a)(c) indicates that
the bonding between the In and O atoms in these compounds is ionic due to the perfect spherical density contours shape. This
ionic nature decreases with the change of the cation from Ca to Ba in the A2 InSbO6 (A = Ca, Sr, Ba) compounds. Furthermore,
the density contour in the (1 1 0) plane indicates that the bonding between the O atom and the alkaline earth metals (Ca,
Sr, Ba) is covalent. The covalent nature of the O atom with the alkaline earth metals increases whereas the ionic nature with
the O atom decreases with the change of the cation from Ca to Ba. In addition, the Sb atom exhibits weak covalent bonding
as the cation changes from Ba to Ca, but shows strong ionic bonding with the Sr atom. This covalent nature is mainly a result
of the hybridization of the Sb-p and O-p states, as shown by the PDOS in Fig. 4.

3.3. Optical properties

The optical characteristics of a compound can be obtained by calculating the complex dielectric function using the
Ehrenreich and Cohens equation [29] where the complex dielectric function has two parts, real and imaginary given by:

() = 1 () + i2 () (1)

The calculated imaginary part of the dielectric function [2 ()] for the Ca2 InSbO6 , Sr2 InSbO6 and Ba2 InSbO6 compounds
is shown in Figs 6 (b), 7 (b) and 8 (b), respectively. From these gures, it can be seen that the spectra of 2 () for the A2 InSbO6
(A = Ca, Sr, Ba) compounds have analogous features. However, the absorption peaks are of greater amplitude and are also
 K.M. Wong et al. / Optik 130 (2017) 517524 521

Fig. 4. Total and partial density of states for the Ba2 InSbO6 , Ca2 InSbO6 and Sr2 InSbO6 compounds.

sharper for the Ba2 InSbO6 compound because the energy width of the bandgap is narrower as compared to the other two
compounds (as shown in Fig. 3).
The critical or threshold points in the spectra of 2 () are observed at 2.58 eV, 2.35 eV and 1.65 eV for the Ca2 InSbO6 ,
Sr2 InSbO6 and Ba2 InSbO6 compounds, respectively, which is due to the direct transition from the O-p state in the VB to the
Ca-d, Sr-d, Ba-d and Sb-s states in the CB. These critical points are closely related to the bandgaps of 1.94 eV, 1.78 eV and
1.34 eV corresponding to the A2 InSbO6 (A = Ca, Sr, Ba) compounds, respectively. The rst peaks in the energy region from 0 eV
to 10 eV for these compounds are due to the transition from the In-d, Ca-p, Sr-p and Ba-p states of the VB to the unoccupied
Ca-d, Sr-d, Ba-d and Sb-s states in all the three compounds, respectively. Conversely, the next peaks situated in the energy
range of 10 eV to 25 eV are due to the direct transition of the Ca-p, Sr-p, Ba-p and from the O-s states to the Ba-d and O-p
states. In addition, the sharp peaks of the Ba2 InSbO6 compound in the second region are due to the narrower bandgap.
The real part 1 () explains the dispersion of an electromagnetic wave when it penetrates a medium and the calculated
frequency-dependent 1 () spectra for the A2 InSbO6 (A = Ca, Sr, Ba) compounds is presented in Figs. 6(a), 7(a) and 8(a),
respectively. It is clear from the gures that the static dielectric constant [1 (0)] is strongly dependent on the bandgap of
the compound. The calculated values of 1 (0) for the Ca2 InSbO6 , Sr2 InSbO6 and Ba2 InSbO6 compounds are 3.57, 3.62 and
4.03, respectively, for the corresponding direct bandgaps of 1.94 eV, 1.78 eV and 1.34 eV (as shown in Fig. 3). These data
demonstrate that the smaller energy bandgap yields a larger 1 (0) value where 1 (0) increases when the cation changes
from Ca to Sr to Ba. In addition, 1 () starts increasing from the zero frequency limit and it reaches its peak values (6.19
at 5.7 eV for the Ca2 InSbO6 compound, 5.62 at 6.49 eV for the Sr2 InSbO6 compound and 6.15 at 6.27 eV for the Ba2 InSbO6
compound, respectively), followed by a decreasing trend of the value of 1 () at higher energies. In certain energy ranges,
it falls below zero (from 18.08 eV to 18.82 eV and from 27.09 eV to 27.17 eV for the Ca2 InSbO6 compound, from 23.76 eV to
27.17 eV for the Sr2 InSbO6 compound, and from 18.8 eV to 25.57 eV for the Ba2 InSbO6 compound, respectively). The negative
values of 1 () implies that light is completely attenuated in the optical medium. Hence, in this energy range (where 1 () is
negative), incident electromagnetic waves are completely reected and the material loses its dielectric properties. As shown
in Figs. 6(c), 7(c) and 8(c), the zero frequency reectivity, which is the static part of the reectivity, is at 9%, 10% and 11%
for the Ca2 InSbO6 , Sr2 InSbO6 and Ba2 InSbO6 compounds, respectively. In addition, the maximum dynamic reectivity is
34% at 27.17 eV, 73.5% at 27 eV and 68% at 22.33 eV for the Ca2 InSbO6 , Sr2 InSbO6 and Ba2 InSbO6 compounds, respectively.
522 K.M. Wong et al. / Optik 130 (2017) 517524

Fig. 5. The total electronic charge densities contours of the (a) Ba2 InSbO6 , (b) Ca2 InSbO6 and the (c) Sr2 InSbO6 compounds in the (1 1 0) plane.

Fig. 6. The dielectric function [1 (), 2 ()], reectivity [R()] and the optical conductivity [()] of the Ca2 InSbO6 compound.

Furthermore, the maximum reectivity is in the energy range from 20 eV to 25 eV, which is in the similar range of energy for
the negative value of 1 () for the Sr2 InSbO6 and Ba2 InSbO6 compounds. In this energy range of the reectivity spectra, the
material shows metallic behavior and is used for shielding purposes where the variation of the reectivity magnitude with
energy is suitable for Braggs reector [30]. Figs. 68 show that the magnitude of reectivity is high in the high frequency
regions of the energy spectrum and therefore, these compounds can be used as Braggs reectors. These materials show
metallic behavior in the energy ranges where 1 () becomes negative, therefore the reectivity peaks become increasingly
reective towards the incoming photons [31].
The frequency-dependent optical conductivities [()] for the Ca2 InSbO6 , Sr2 InSbO6 and Ba2 InSbO6 compounds are
shown in Figs. 6(d), 7(d) and 8(d), respectively. The change in the optical conductivity with frequency is calculated with
respect to the energy, ranging from 0 eV to 25 eV, whereas the optical conductivity is taken in the units of ( cm)1 . From
Figs. 6(d), 7(d) and 8(d), it is observed that the optical conductivities, () start at approximately 2.85 eV, 2.68 eV and 2.01 eV
 K.M. Wong et al. / Optik 130 (2017) 517524 523

Fig. 7. The dielectric function [1 (), 2 ()], reectivity [R()] and the optical conductivity [()] of the Sr2 InSbO6 compound.

Fig. 8. The dielectric function [1 (), 2 ()], reectivity [R()] and the optical conductivity [()] of the Ba2 InSbO6 compound.

for the Ca2 InSbO6 , Sr2 InSbO6 and Ba2 InSbO6 compounds, respectively, where the optical conductivity increases slowly with
smaller peaks and then reaches the maximum values. Conversely, the maximum optical conductivities of the Ca2 InSbO6 ,
Sr2 InSbO6 and Ba2 InSbO6 compounds are 8852.91 1 cm1 at 27.17 eV, 11866 1 cm1 at 23.84 eV and 14089.5 1 cm1
at 18.84 eV, respectively, where the magnitude of () is largest for the Ba2 InSbO6 compound. After attaining the maximum
values, the magnitude of the optical conductivity starts decreasing and shows a steady nature in the high energy range for the
Sr2 InSbO6 and Ba2 InSbO6 compounds. Furthermore, it is also observed that the optical conductivities spectra have maximum
peaks for the negative values of the corresponding 1 () spectra, which indicates the metallic nature of the compounds at
these particular energy range of photons.

4. Conclusions

The structural, electronic and optical properties of the double perovskite A2 InSbO6 (A = Ca, Sr, Ba) compounds were
investigated using the FP-LAPW method. Importantly, the calculated structural parameters of the compounds are in good
agreement with the experimental results where an increase in the lattice constant and a decrease in the bulk modulus were
observed with the change of the cations from Ca2 InSbO6 to Sr2 InSbO6 to Ba2 InSbO6 . All the three compounds show the
semiconductor behavior with a direct bandgap at the  - point in the Brillouin zone, with energy band gaps of 1.94 eV,
1.78 eV, and 1.34 eV, respectively, for the A2 InSbO6 (A = Ca, Sr, Ba) compounds. The TDOS and PDOS of these compounds
indicate that the pd-hybridization of the Ca-p, Sr-p, Ba-p, In-d, and O-p states contributes to the VB, and the Ca-d, Sr-d and
Ba-d states dominate the CB. In addition, the Ba-d and O-p states also dominate the CB of the Ba2 InSbO6 compound. From the
524 K.M. Wong et al. / Optik 130 (2017) 517524

two-dimensional electron charge density contour plots in the (110) plane, it is observed that the chemical bonding of these
compounds is partially covalent and partially ionic. Furthermore, from the calculated optical properties, it is clear that the
materials strongly absorb and reect the incident radiation in the visible and ultraviolet range. Therefore, these A2 InSbO6
(A = Ca, Sr, Ba) compounds can be effectively used in optoelectronic and optical devices.

Acknowledgments

Asif Mahmood extends his appreciation to the Deanship of Scientic Research at King Saud University for funding the
work through the research group project No. RGP-VPP-311. Dr. Kin Mun Wong is the corresponding author of Refs. [1921]
and the co-corresponding author of Refs. [22,23] respectively. Dr. Kin Mun Wong can be contactable at the following e-mail
addresses : km2002wong@gmail.com, km2002wong@yahoo.com.sg and kmwong@kinmunwong.me. In addition, Dr. Kin
Mun Wong was previously (formerly) a research scientist at the Technische Universitt Ilmenau in Germany.

References

[1] M. Ullah, S.A. Khan, G. Murtaza, R. Khenata, Naeem Ullah, S. Bin Omran, J. Magn. Magn. Mater. 377 (2015) 197203.
[2] Y.P. Liu, H.R. Fuh, Y.K. Wang, J. Magn. Magn. Mater. 341 (2013) 2529.
[3] R.F. Berger, J.B. Neaton, Phys. Rev. B 86 (2014) 165211.
[4] K.I. Kobayashi, T. Kimura, H. Sawada, K. Terakura, Y. Tokura, Nature 395 (1998) 677.
[5] M. DeMarco, H.A. Blackstead, J.D. Dow, M.K. Wu, D.Y. Chen, F.Z. Chien, M. Haka, S. Toorongian, J. Fridmann, Phys. Rev. B 62 (2000) 14301.
[6] A.E. Lavat, E.J. Baran, Vib. Spectrosc. 32 (2003) 167.
[7] A. Tauber, S.C. Tidrow, R.D. Finnegan, W.D. Wilbur, Physica C 256 (1996) 340.
[8] A.M. Glazer, Acta Cryst. B 28 (1972) 3384.
[9] C.J. Howard, H.T. Stokes, Acta Cryst. B 54 (1998) 782.
[10] O. Bock, U. Muller, Acta Cryst. B 58 (2002) 594.
[11] C.J. Howard, B.J. Kennedy, P.M. Woodward, Acta Cryst. B 59 (2003) 463.
[12] M.T. Anderson, K.B. Greenwood, G.A. Taylor, K.R. Poeppelmeier, Prog. Solid State Chem. 22 (1993) 197.
[13] V.V. Wittmann, G. Rauser, S. Kemmier-Sack, Z. Anorg, Allg. Chem. 482 (1981) 143.
[14] W.T. Fu, D.J.W. Ijdo, Solid State Commun. 134 (2005) 177.
[15] E.G. Fesenko, V.S. Filipiev, M.F. Kupriyanov, R.U. Pevilkanovs, G.P. Zhavoronko, V.A. Dhrov, Izv. Akad. Nauk SSSR. Neorg. Mater. 6 (1970) 800.
[16] W. Zheng, W. Pang, G. Meng, Mater. Bull. 37 (1998) 276.
[17] A.W. Sleight, R. Ward, Inorg. Chem. 3 (1964) 292.
[18] R. Shaheen, J. Bashir, Solid State Sci. 4 (2010) 605.
[19] K.M. Wong, Jpn. J. Appl. Phys. 48 (2009) 085002.
[20] K.M. Wong, W.K. Chim, J.Q. Huang, L. Zhu, J. Appl. Phys. 103 (2008) 054505.
[21] A. Basit, G. Murtaza, A. Mahmood, S.A. Khan, M. Aneel, A. Yar, K.M. Wong, Mat. Sci. Semicon. Proc. 57 (2017) 116.
[22] K.M. Wong, S.M. Alay-e-Abbas, Y. Fang, A. Shaukat, Y. Lei, J. Appl. Phys. 114 (2013) 034901.
[23] K.M. Wong, S.M. Alay-e-Abbas, A. Shaukat, Y. Fang, Y. Lei, J. Appl. Phys. 113 (2013) 014304.
[24] Z. Wu, R.E. Cohen, Phys. Rev. B 73 (2006) 235116.
[25] E. Engel, S.H. Vosko, Phys Rev. B 47 (1991) 13164.
[26] F.D. Murnaghan, Proc. Natl. Acad. Sci. U. S. A. 30 (1994) 244.
[27] S.C. Tidrow, A. Tauber, R.D. Finnegan, W.D. Wilber, ARLTR-1128, 1997.
[28] Naeem Ullah, G. Murtaza, R. Khenata, Haleem Ud Din, S. Bin Omran, Mat. Sci. Semicon. Proc. 26 (2014) 681689.
[29] H. Ehrenreich, M.L. Cohen, Phys. Rev. 115 (1959) 786790.
[30] B. Amin, I. Ahmad, M. Maqbool, J. Lightwave Technol. 28 (2010) 223.
[31] Naeem Ullah, G. Murtaza, R. Khenata, K.M. Wong, Z.A. Alahmed, Phase Transit 87 (2014) 571.