Dielectric singularities and phase transitions in molecular crystals

R. W. Munn, T. Luty

    Research output: Contribution to journalArticlepeer-review

    Abstract

    In crystals composed of sufficiently polarizable molecules, the low-frequency dielectric screening can be singular. A self-consistent dynamical treatment using vibrationally averaged polarizabilities shows how the singularity can produce Kohn anomalies, soft modes and phase transitions. Dielectric screening by mobile conduction electrons need not to be invoked. It is shown that the singularity is suppressed by a periodic lattice distortion commensurate with the original lattice.

    Original languageEnglish
    Pages (from-to)413-420
    Number of pages8
    JournalChemical Physics
    Volume38
    Issue number3
    DOIs
    Publication statusPublished - 1 May 1979

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