Phonon spectra calculations by the recursion method. I. Diatomic crystals

Abstract

The possibility of using the recursion method in order to calculate the phonon spectra (with special application to the zincblende structure) is discussed. It is shown that in order to obtain a realistic picture, interactions between nearest and next-nearest neighbours are to be taken into account. Numerical calculations are performed for the case of ZnS. The parameters used in the recursion method have been extracted from the experimental data.