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<strong>Electronic and optical properties of GaInX2 (X=As, P) from first principles study</strong>

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Title Statement <strong>Electronic and optical properties of GaInX2 (X=As, P) from first principles study</strong>
 
Added Entry - Uncontrolled Name BENNACER, Hamza ; a) Applied materials Laboratory, electronic department, University of Sidi bel abbesse, 22000, Algeria. b) LMER Laboratory, electronic department, University of Bejaia 06000, Algeria. c) Elaboration and Characterization Physical Mechanics and Metallurgical of Material, Laboratory, ECP3M, Electrical Engineering Department, Faculty of Sciences and Technology, Abdelhamid Ibn Badis University, Mostaganem 27000, Algeria.
BERRAH, Smail ; (LMER) Laboratory, University A/ MIRA of Bejaia 06000, Algeria.
BOUKORTT, Abdelkader ; Elaboration and Characterization Physical Mechanics and Metallurgical of Material, Laboratory, ECP3M, Electrical Engineering Department, Faculty of Sciences and Technology, Abdelhamid Ibn Badis University, Mostaganem 27000, Algeria.
ZIANE, Mohamed Issam ; Applied Materials Laboratory, Research Center, Sidi Bel Abbes University 22000, Algeria.
 
Uncontrolled Index Term Materials physics; semiconductor physics
FP-LAPW; Chalcopyrite; electronic band structure; linear optical properties
 
Summary, etc. <strong>The structural, electronic and optical properties of GaInAs<sub>2</sub> and GaInP<sub>2</sub> with chalcopyrite structure in ternaries compounds have been studied in the present paper. To obtain accurate results, we have based our research on three phases. In the first phase, we used the first-principles calculations by using the full potential-linearized augmented plane wave method (FP-LAPW) within the density functional theory (DFT). In the second phase, the structural properties as exchange-correlation potential, the generalized gradient approximation (GGA-PBE Sol) of Perdew and al and local density approximation (LDA) of Perdew and Wang have been used. And in phase three, in order to get best values of the band gap, we used the developed form of GGA proposed by Engel–Vosko (EV-GGA) and the modified Becke-Johnson (mBJ) of Tran and Blaha, which are based on the optimization of total energy and corresponding potential. The compounds of GaInP<sub>2</sub> and GaInAs<sub>2</sub> demonstrate semiconducting behaviour with the direct-band gap of 0.3 and 2.03 eV using mBJ approach. The dielectric function, refractive index, reflectivity, absorption coefficient have been studied and the optical conductivity functions are calculated for radiation up to 20 eV. The obtained results indicate that GaInP<sub>2</sub> and GaInAs<sub>2</sub> are attractive materials for optoelectronic and photovoltaic applications.</strong>
 
Publication, Distribution, Etc. Indian Journal of Pure & Applied Physics (IJPAP)
2015-04-30 10:28:01
 
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Data Source Entry Indian Journal of Pure & Applied Physics (IJPAP); ##issue.vol## 53, ##issue.no## 3 (2015): Indian Journal of Pure & Applied Physics
 
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