Structural and Optical Properties of GaAs_(0.5)Sb_(0.5) and In_(0.5)Ga_(0.5)As_(0.5)Sb_(0.5):ab initio Calculations for Pure and Doped Materials  

作　　者：Mazin SH.Othman Khudheir A.Mishjil Nadir F.Habubi 

机构地区：[1]Department of General Science,Faculty of Education,Soran University,Soran-Erbil,Iraq [2]Department of Physics,College of Education,Al-Mustansiriyah University,Iraq

出　　处：《Chinese Physics Letters》2012年第3期193-196,共4页中国物理快报（英文版）

基　　金：Supported by Gazi University Research Project under Project No 05/2008/42.

摘　　要：We perform a first-principles study to evaluate the structural,electronic and optical properties of GaAs_(x)Sb_(1-x) ternary and In_(y)Ga_(1-y)As_(x)Sb_(1-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 varywith 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.

关 键 词：alloys QUATERNARY TERNARY 

分 类 号：TG1[金属学及工艺—金属学]