Bd. Rajput et Da. Browne, LATTICE-DYNAMICS OF II-VI MATERIALS USING THE ADIABATIC BOND-CHARGE MODEL, Physical review. B, Condensed matter, 53(14), 1996, pp. 9052-9058
We extend the adiabatic bond-charge model, originally developed for gr
oup IV semiconductors and III-V compounds, to study phonons in more io
nic II-VI compounds with a zinc-blende structure, Phonon spectra, dens
ity of states, and specific heats are calculated for six II-VI compoun
ds and compared with both experimental data and the results of other m
odels. We show that the six-parameter bend-charge model gives a good d
escription of the lattice dynamics of these materials. We also discuss
trends in the parameters with respect to the ionicity and metallicity
of these compounds.