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Type: Artigo de periódico
Title: On The Dynamical Propeties Of A Strongly Anharmonic Face-centered Cubic Crystal
Author: Zubov V.I.
Rodrigues C.G.
Pascual M.F.
Abstract: 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.
Rights: fechado
Identifier DOI: 
Date Issue: 1998
Appears in Collections:Unicamp - Artigos e Outros Documentos

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