Relaxation in pseudobinary wurtzite lattices is predicted using the valence force field (VFF) approach. In this hexagonal packing structure, the computer simulation of the quasi-tetrahedral alloy lattice at an arbitrary composition is carried out by searching atomic positions at which the elastic forces acting upon every atom vanish. The VFF model is applied to the II-VI compound CdS 1-y Se y : the bimodal distribution of the distance between first neighbouring atoms is split, taking into account the type of chalcogen atom bound to the Cd one and the distortion of tetrahedra in the non-ideal wurtzite structure
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Marbeuf et al. (1994) studied this question.