Calculation of anharmonic phonon couplings in C, Si, and Ge

David Vanderbilt, Steven G. Louie, Marvin L. Cohen

Research output: Contribution to journalArticlepeer-review

31 Scopus citations


Frozen-phonon total-energy calculations are used to extract anharmonic phonon couplings for the tetrahedral elements C, Si, and Ge. The local-density approximation is employed, with a localized-orbital basis used for C and a plane-wave expansion used for Si and Ge. The bare interactions between optical phonons are completely determined through fourth order at the Brillouin-zone center. These are used to compute renormalized couplings, in which a vertex is screened by virtual phonons. The renormalized couplings are found to have the wrong sign to allow formation of a proposed two-phonon bound state in diamond.

Original languageEnglish (US)
Pages (from-to)8740-8747
Number of pages8
JournalPhysical Review B
Issue number12
StatePublished - 1986

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics


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