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

doi:10.1142/S0217984916504091

paper

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

arXiv:1601.05931 · doi:10.1142/S0217984916504091

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 $c B Ω$ 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 $c B Ω$ model with the modified Born theory. The results are in satisfactory agreement with those deduced independently by the generalized gradient approximation approach.

11 pages, 1 figure

Bulk moduli of PbSx​Se1−x​, PbSx​Te1−x​, and PbSex​Te1−x​ from the combination of the cBΩ model with the modified Born theory compared to generalized gradient approximation

Abstract

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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 $c B Ω$ model with the modified Born theory compared to generalized gradient approximation