Journal
PHYSICA SCRIPTA
Volume 96, Issue 12, Pages -Publisher
IOP Publishing Ltd
DOI: 10.1088/1402-4896/ac3270
Keywords
mechanical properties; thermal properties; alloys; pressure; temperature; DFT; optical properties
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The fundamental mechanical and thermal behaviors of InAsSb and GaAsSb semiconductors were studied using first-principles calculations. The impacts of pressure and temperature on the alloys' behaviors were examined, especially for the composition (x = 0.5) which hasn't been fully explored in the literature.
We have performed the first-principles calculations using the Density Functional Theory (DFT) and the empirical pseudopotential method (EPM) to study the fundamental behaviors of the InAsSb and GaAsSb semiconductors. The mechanical behaviors of InAsSb and GaAsSb alloys were calculated. Also, the thermal behaviors of InAsSb and GaAsSb alloys were investigated. We examined the impacts of pressure and temperature on the mechanical and thermal behaviors of the considered alloys. The mechanical and thermal behaviors of the InAsSb and GaAsSb alloys for composition (x = 0.5) under the influence of pressure and temperature haven't been completely explored in the literature. Thus, we were interested in these behaviors under the pressure and temperature effects.
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