Bond Orbital Model for IV-VI Compounds

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Abstract
A new bond orbital model is proposed for IV-VI compounds and applied for the evaluation of polarity, static effective charge, cohesive energy and transverse effective charge of five IV-VI compounds PbS, PbSe, PbTe, SnTe and GeTe. The model contains five parameters which are determined so as to reproduce the results of OPW band calculation at a few points of high symmetry in the Brillouin zone. Numerical results of the model calculations are compared with corresponding experimental data and short discussion is given on the structural phase transition in SnTe and GeTe.