• Title of article

    Improved calculation of vibrational mode lifetimes in anharmonic solids – Part III: Extension to fourth moment

  • Author/Authors

    Gao، نويسنده , , Yang and Dickel، نويسنده , , Doyl and Harrison، نويسنده , , David and Daw، نويسنده , , Murray S.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2014
  • Pages
    7
  • From page
    12
  • To page
    18
  • Abstract
    A recent scheme for calculating approximate vibrational mode lifetimes in solids (Dickel and Daw, 2010) [1,2] is extended to the next level (fourth-moment). The extension is tested in two cases: (1) simple, low-dimensional anharmonic systems, and (2) on a simple lattice model of vibrations. We show that, for systems where the mode-resolved density of states is well-approximated by a single broadened peak, the fourth-moment approximation works well over a wide range of temperatures.
  • Keywords
    Mode lifetime , Monte Carlo , Liouvillian , anharmonicity
  • Journal title
    Computational Materials Science
  • Serial Year
    2014
  • Journal title
    Computational Materials Science
  • Record number

    1692808