Artículos de revistas
On the dynamical properties of a strongly anharmonic face-centered cubic crystal
Registro en:
International Journal Of Modern Physics B. World Scientific Publ Co Pte Ltd, v. 12, n. 27-28, n. 2869, n. 2879, 1998.
0217-9792
WOS:000078404800008
10.1142/S021797929800168X
Autor
Zubov, VI
Rodrigues, CG
Pascual, MF
Institución
Resumen
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. 12 27-28 2869 2879