Self-consistent theory of anharmonic crystals containing substitutional impurities

A simple model-linear chain- of an anharmonic crystal containing substitutional impurities has been studied on the basis of the nonsymmetrized self-consistent field method. Lattice relaxation near the impurity, mean-square displacement of atoms, as well as third- and fourth-order moments of single-particle probability densities have been calculated. A formula has been obtained for the change of the free energy upon substitution of an intrinsic chain atom by an impurity atom. All the quantities have been expressed via the derivatives of interatomic potentials; this permitted explicit specification of the role of anharmonic effects. © 1987 Plenum Publishing Corporation.

Авторы
Zubov V.I. 1 , Teisheira Rabelo Zh.N.
Редакторы
-
Журнал
Издательство
Kluwer Academic Publishers-Plenum Publishers
Номер выпуска
12
Язык
Английский
Страницы
987-989
Статус
Опубликовано
Подразделение
-
Номер
-
Том
29
Год
1986
Организации
  • 1 Patrice Lumumba People's Friendship University, Moscow, Russian Federation
Ключевые слова
RELAXATION PROCESSES; ANHARMONIC CRYSTALS; FREE ENERGY; LATTICE RELAXATION; NONSYMMETRIZED SELF-CONSISTENT FIELD METHOD; SUBSTITUTIONAL IMPURITIES; CRYSTALS
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/1320/