DOI

A new method in the microscopic theory of anharmonic crystal lattice dynamics - the independent anharmonic oscillator (IAO) approximation - is discussed. The method is compared with traditional approaches (such as the mean-field and renormalized self-consistent phonon methods) from the standpoint of the analysis of the main approximations. Different methods are applied to the description of the structural phase transition in a monoatomic anharmonic crystal, the results obtained are analyzed, and the numerical accuracy of different approximations is estimated. It is demonstrated that, for this model in the displacement-type instability range, the new method, unlike the self-consistent phonon method, adequately describes the phase transition as a second-order transition. The phase transition temperature calculated in the displacement limit monotonically tends to the exact value in contrast with the temperature obtained within the mean field approximation.

Original languageEnglish
Pages (from-to)2288-2294
Number of pages7
JournalPhysics of the Solid State
Volume42
Issue number12
DOIs
StatePublished - Dec 2000

    Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

ID: 88827207