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...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.展开更多
基金Supported by Gazi University Research Project under Project No 05/2008/42.
文摘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.
