Work

Anharmonic Phonon Lifetimes in Semiconductors from Density-Functional Perturbation Theory

Year: 1995
Type: article
Abstract: The anharmonic lifetimes of zone-center optical phonons in C, Si, and Ge are calculated along with their temperature and pressure dependences, using third-order density-functional perturbation theory. Our basic ingredients are by-products of a standard linear-response calculation of phonon dispersions in the harmonic approximation, resulting in a similarly good agreement with experiments. The microscopic mechanisms responsible for the decay are revealed and shown to be different for different materials and to depend sensitively on the applied pressure.
Language: English
Open Access status: green
OpenAlex ID: W1997319747
FWCI: 4.424
Cites: 23
Cited by: 386
Related to: 9