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

Citation
Vi. Zubov et al., On the dynamical properties of a strongly anharmonic face-centered cubic crystal, INT J MOD B, 12(27-28), 1998, pp. 2869-2879
Citations number
33
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
INTERNATIONAL JOURNAL OF MODERN PHYSICS B
ISSN journal
02179792 → ACNP
Volume
12
Issue
27-28
Year of publication
1998
Pages
2869 - 2879
Database
ISI
SICI code
0217-9792(19981110)12:27-28<2869:OTDPOA>2.0.ZU;2-M
Abstract
We study the interatomic correlations and mean square relative displacement s (MSRD) in anharmonic crystals on the basis of the correlative method of u nsymmetrized self-consistent field (CUSF). Here we present general formulae for crystals with the anharmonicity, including the strong one, up to the f ourth anharmonic terms and perform calculations of tl le quadratic correlat ion moments (QCM) in a crystal with face centered cubic lattice, namely in solid Ar. The second order of CUSF allows one to investigate correlations i n this lattice between the nearest, second, third and fourth neighbors. The anharmonicity mas demonstrated to have strong effect on the interatomic co rrelations at temperatures above 0.4 of the melting temperature causing a d rastic rise near the spinodal point. The dependence of QCM on the distance between atoms and on the crystallographic direction is discussed.