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Modeling Pressure Dependent Elastic Parameters of GaAsSb Alloy

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Abstract

Density functional theory with GGA approximation elastic properties of GaAs1-xSbx of x=0.5 have been calculated from 0-20 GPa range of pressure. The geometry adjusted structural parameters for GaAs1-xSbx under separate pressures and they are listed. It was detected that lattice constant decreased by pressure increasing. Furthermore, parameter B decreased and parameter S and Y increased by pressure increasing. The elastic constants fulfilled the customary mechanical stability conditions for the ternary intermingled crystals. The elastic modulus was gained. The adjusted elastic constants varied with various rates under increasing pressure.