On the dynamical properties of a strongly anharmonic face-centered cubic crystal

We study the interatomic correlations and mean square relative displacements (MSRD) in anharmonic crystals on the basis of the correlative method of unsymmetrized self-consistent field (CUSF). Here we present general formulae for crystals with the anharmonicity, including the strong one, up to the fourth anharmonic terms and perform calculations of tl le quadratic correlation moments (QCM) in a crystal with face centered cubic lattice, namely in solid Ar. The second order of CUSF allows one to investigate correlations in this lattice between the nearest, second, third and fourth neighbors. The anharmonicity mas demonstrated to have strong effect on the interatomic correlations at temperatures above 0.4 of the melting temperature causing a drastic rise near the spinodal point. The dependence of QCM on the distance between atoms and on the crystallographic direction is discussed.

Авторы
Zubov V.I. , Rodrigues C.G. , Pascual M.F.
Номер выпуска
27-28
Язык
Английский
Страницы
2869-2879
Статус
Опубликовано
Том
12
Год
1998
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/9240/