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When does the Debye-Gru model become unacceptable to use?

  1. Jul 29, 2014 #1
    So the Debye-Gruneisen model seems to work quite well for most solids at low tempeartures, and in many cases at room or higher temperatures.

    But is there a good overview of when this would fail for a condensed phase? Such as van hove singularities that are unexpected compared to a "standard" solid? extreme anisotropy? binding environments?

    I can't seem to find a paper that describes and compares the Debye-G model in terms of real life applications (predicting thermodynamics/lattice dynamics). I am interested in using this model to predict lattice dynamics from ab initio calculations and don't want to involve intensive phonon-methods if I don't have to.

    Thank you kindly,

  2. jcsd
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