Lattice dynamics of II-VI materials using the adiabatic bond-charge model

Abstract

We extend the adiabatic bond-charge model, originally developed for group IV semiconductors and III-V compounds, to study phonons in more ionic II-VI compounds with a zinc-blende structure. Phonon spectra, density of states, and specific heats are calculated for six II-VI compounds and compared with both experimental data and the results of other models. We show that the six-parameter bond-charge model gives a good description of the lattice dynamics of these materials. We also discuss trends in the parameters with respect to the ionicity and metallicity of these compounds. © 1996 The American Physical Society