Vi. Zubov et al., ON THE INTERATOMIC CORRELATIONS AND MEAN-SQUARE RELATIVE ATOMIC DISPLACEMENTS IN AN ANHARMONIC MODEL OF THE CLOSE-PACKED CRYSTAL, Modern physics letters B, 9(14), 1995, pp. 839-847
The correlative method of unsymmetrized self-consistent field (CUSF) i
s used to study the interatomic correlations and mean square displacem
ents in anharmonic crystals. In the first order of CUSF we have derive
d the formula for the atomic mean square displacement and quadratic co
rrelation between displacements of two nearest neighbors along the lin
e passing through their centers C-xx(1) = nq(x)(2)/Z where n is the di
mensionality of a lattice and Z is the coordinational number. In the s
econd order of CUSF we have calculated the quadratic correlation momen
ts and mean square relative displacements in the two-dimensional model
of an anharmonic crystal with hexagonal lattice. The results are comp
ared with those for square lattice obtained previously.