• Rapid Communication

Anharmonic self-energies of phonons in silicon

Shobhana Narasimhan and David Vanderbilt
Phys. Rev. B 43, 4541(R) – Published 15 February 1991
PDFExport Citation

Abstract

We have carried out a realistic ab initio calculation of the contribution of cubic anharmonicity to the inverse lifetime Γ and the frequency shift Δ of phonons in silicon. The cubic coupling constants for phonons throughout the Brillouin zone are obtained from an anharmonic Keating-type lattice-dynamical model, which has been fit to a database of results from local-density-approximation frozen-phonon and elastic-modulus calculations. Γ and Δ have been calculated as a function of temperature T and wave vector. Our results agree reasonably well with experiment, but indicate the need for retention for quartic and higher-order terms, especially at high T.

  • Received 21 September 1990

DOI:https://doi.org/10.1103/PhysRevB.43.4541

©1991 American Physical Society

Authors & Affiliations

Shobhana Narasimhan and David Vanderbilt

  • Department of Physics, Harvard University, Cambridge, Massachusetts 02138

References (Subscription Required)

Click to Expand
Issue

Vol. 43, Iss. 5 — 15 February 1991

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×