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arXiv · 1601.05931

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

Nicholas V. Sarlis·Efthimios S. Skordas
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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 $cBΩ$ 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 $cBΩ$ model with the modified Born theory. The results are in satisfactory agreement with those deduced independently by the generalized gradient approximation approach.

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Nicholas V. Sarlis, Efthimios S. Skordas. 2016-01-22. Bulk moduli of PbS$_{x}$Se$_{1-x}$, PbS$_{x}$Te$_{1-x}$, and PbSe$_{x}$Te$_{1-x}$ from the combination of the $cBΩ$ model with the modified Born theory compared to generalized gradient approximation. https://doi.org/10.1142/s0217984916504091

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