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Bulk moduli of PbS$_{x}$Se$_{1-x}$, PbS$_{x}$Te$_{1-x}$, and PbSe$_{x}$Te$_{1-x}$ from the combination of the $cB\Omega$ model with the modified Born theory compared to generalized gradient approximation

Authors :
Sarlis, Nicholas V.
Skordas, Efthimios S.
Publication Year :
2016

Abstract

The bulk moduli of PbS$_{x}$Se$_{1-x}$, PbS$_{x}$Te$_{1-x}$, and PbSe$_{x}$Te$_{1-x}$ have been recently determined [E. Skordas, Materials Science in Semiconductor Processing 43 (2016) 65-68] by employing a thermodynamical model, the so called $cB\Omega$ model, which has been found to give successful results in several applications of defects in solids. Here, we suggest an alternative procedure for this determination which combines the $cB\Omega$ model with the modified Born theory. The results are in satisfactory agreement with those deduced independently by the generalized gradient approximation approach.<br />Comment: 11 pages, 1 figure

Details

Database :
arXiv
Publication Type :
Report
Accession number :
edsarx.1601.05931
Document Type :
Working Paper
Full Text :
https://doi.org/10.1142/S0217984916504091