T. Held et I. Pfeiffer, THE EFFECT OF ANHARMONICITIES ON THE ABSORPTION-SPECTRUM OF A DIATOMIC LINEAR-CHAIN WITHIN A CENTRAL FORCE MODEL, Physica status solidi. b, Basic research, 181(2), 1994, pp. 363-372
Closed-form expressions for the Fourier-transformed anharmonic force c
onstants of a diatomic linear chain within a central force model are o
btained. Some differences compared to those expressions obtained by so
me other authors, especially in Peierls' approximation, are discussed
and illustrated by numerical calculations of the linewidth and frequen
cy shift of the ''reststrahlen'' peak of a KCl crystal up to second or
der of the perturbation theory.