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.

Anharmonic phonon lifetimes in semiconductors from density-functional perturbation theory / A., Debernardi; S., Baroni; Molinari, Elisa. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - STAMPA. - 75:(1995), pp. 1819-1822.

Anharmonic phonon lifetimes in semiconductors from density-functional perturbation theory

MOLINARI, Elisa
1995-01-01

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.
75
1819
1822
Anharmonic phonon lifetimes in semiconductors from density-functional perturbation theory / A., Debernardi; S., Baroni; Molinari, Elisa. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - STAMPA. - 75:(1995), pp. 1819-1822.
A., Debernardi; S., Baroni; Molinari, Elisa
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/307020
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