Bulk moduli of PbSxSe1-x, PbSxTe1-x and PbSexTe1-x from the combination of the cB Omega model with the modified Born theory compared to generalized gradient approximation

摘要

The bulk moduli of PbSxSe1-x, PbSxTe1-x and PbSexTe1-x have been recently determined 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.