S. Koval et R. Migoni, CONSISTENT ANHARMONIC-SHELL-MODEL CALCULATION FOR THE RAMAN MODE IN SILICON, Physical review. B, Condensed matter, 49(2), 1994, pp. 998-1004
We show that a previous failure to describe the frequency shift Delta
and linewidth Gamma of the optical zone-center mode in silicon with an
anharmonic shell model arises from the neglect of the electronic pola
rizability effects in the perturbative treatment of the anharmonic int
eractions. We consider cubic anharmonic shell-shell interactions betwe
en nearest-neighbor atoms in a shell model used in the past for silico
n. We apply an anharmonic perturbation theory which properly takes int
o account the adiabatic constraint for the shell's polarization. We ob
tain Delta and Gamma as functions of temperature in good agreement wit
h experimental data.