Chin. Phys. Lett.  2012, Vol. 29 Issue (3): 037302    DOI: 10.1088/0256-307X/29/3/037302
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
Structural and Optical Properties of GaAs0.5Sb0.5 and In0.5Ga0.5As0.5Sb0.5: ab initio Calculations for Pure and Doped Materials
Mazin SH. Othman1, Khudheir A. Mishjil2**, Nadir F. Habubi2
1Department of General Science, Faculty of Education, Soran University, Soran-Erbil, Iraq
2Department of Physics, College of Education, Al-Mustansiriyah University, Iraq
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Mazin SH. Othman, Khudheir A. Mishjil, Nadir F. Habubi 2012 Chin. Phys. Lett. 29 037302
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Abstract

We perform a first-principles study to evaluate the structural, electronic and optical properties of GaAsxSb1−x ternary and InyGa1−yAsxSb1−x quaternary semiconductor alloys up to x=0.5, y=0.5. We employ the Perdew–Burke–Ernzerhof form of the generalized gradient approximation (GGA) within the framework of density functional theory (DFT) by using a simulation program. Calculations are carried out in different configurations. For these alloys, lattice parameters and optical band gap energy are calculated. The optical band gaps vary with increasing and decreasing As and In concentrations, respectively. The optical conductivity, absorption and the real part of the dielectric function ε1(ω) are discussed. Our results agree well with the theoretical and experimental data available in the literature.

Keywords: 73.61.Vc      78.66.-W      78.66.Db     
Received: 12 August 2011      Published: 11 March 2012
PACS:  73.61.Vc  
  78.66.-w (Optical properties of specific thin films)  
  78.66.Db (Elemental semiconductors and insulators)  
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https://cpl.iphy.ac.cn/10.1088/0256-307X/29/3/037302       OR      https://cpl.iphy.ac.cn/Y2012/V29/I3/037302
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Articles by authors
Mazin SH. Othman
Khudheir A. Mishjil
Nadir F. Habubi
[1] Kuo Y and Yen S 2007 Opt. Commun. 275 156

[2] Othman M and Kasap E 2010 J. Alloys Compd. 496 226

[3] Serries D and Peter M 2000 J. Appl. Phys 87 8522

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[8] Robinson M and Haynes P D 2009 Chem. Phys. Lett. 476 73

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[11] Hamann D, Schlüter R and Chiang C 1979 Phys. Rev. Lett. 43 1494

[12] Othman M and Kasap E 2010 Physica B 405 2357

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[17] Lukic Zrnic R, Gorman B P, Cottier R J, Golding T D, Littler C L and Norman A G 2002 J. Appl. Phys. 92 6939

[18] Bedeaux D and Vlieger J 2001 Optical Properties of Surfaces (Singapore: World Scientific)

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[20] He H, Orlando R, Blanco M A, Amzallag R P E, Baraille I and Rérat M 2006 Phys. Rev. B 74 195123

[21] Sun J, Wang H, He J and Tian Y 2005 Phys. Rev. B 71 125132

[22] Liou T, Yang C 2005 Opt. Commun. 249 45

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[24] Bhattacharya P 1993 Properties of Lattice Matched, Strained Indium Gallium Arsenide (London: Institution of Electrical Engineers)
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