On the dynamical propeties 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 the 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 was 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.

Authors
Zubov V.I. 1, 2 , Rodrigues C.G.3 , Pascual M.F.1
Number of issue
27-28
Language
English
Pages
2869-2879
Status
Published
Volume
12
Year
1998
Organizations
  • 1 Instituto de Física, Universidade Federal de Goiás, C.P. 131, 74001 Goiânia - GO, Brazil
  • 2 Department of Theoretical Physics, People's Friendship University, Moscow, Russian Federation
  • 3 Instituto de Física, Unicamp, C.P. 6165, 13083-970 Campinas - SP, Brazil
Date of creation
19.10.2018
Date of change
19.10.2018
Short link
https://repository.rudn.ru/en/records/article/record/629/
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