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.

Язык оригиналаанглийский
Страницы (с-по)2288-2294
Число страниц7
ЖурналPhysics of the Solid State
Том42
Номер выпуска12
DOI
СостояниеОпубликовано - дек 2000

    Предметные области Scopus

  • Электроника, оптика и магнитные материалы
  • Физика конденсатов

ID: 88827207