Abstract
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.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
