Journal
COMPUTATIONAL CONDENSED MATTER
Volume 16, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.cocom.2018.e00300
Keywords
Mechanical properties; InPxSb1-x; Pressure; Temperature
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A detailed study of the effect of composition, temperature and pressure on the mechanical and opto-electronic properties of InPxSb1-x alloys has been reported. The calculations have been done using pseudo-potential method (EPM) within the improved virtual crystal approximation (VCA), where the compositional disorder effect is taken into account. Our results for the elastic constants, elastic moduli, Poisson's ratio, bond stretching force constant, bond bending force constant, internal strain parameter, linear compressibility, Cauchy ratio, and anisotropy factor are successfully calculated and compared with the available published data. (C) 2018 Elsevier B.V. All rights reserved.
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