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.
Publication Source (Journal or Book title)
Physical Review B - Condensed Matter and Materials Physics
Rajput, B., & Browne, D. (1996). Lattice dynamics of II-VI materials using the adiabatic bond-charge model. Physical Review B - Condensed Matter and Materials Physics, 53 (14), 9052-9058. https://doi.org/10.1103/PhysRevB.53.9052