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Probability tables for small clusters of impurity atoms in sc, bcc, and fcc lattices assuming long-range interaction.

Authors :
Pohl, U. W.
Busse, W.
Source :
Journal of Chemical Physics. 6/15/1989, Vol. 90 Issue 12, p6877. 4p.
Publication Year :
1989

Abstract

Powers and coefficients of polynomials describing the concentration dependent probabilities of small clusters of impurities are presented. For singles, pairs, and triples of impurities randomly distributed in simple cubic, body-centered-cubic, or face-centered-cubic host lattices, all interaction ranges between first next neighbor (1NN) and 8NN interaction are considered (singles and pairs up to 16 NN). The change of the probability functions with increasing interaction range is described. It is noted that an additional consideration of clusters with more impurities than a triple does not essentially improve the statistical error in the case of long-range interaction. For the three lattices, empty shells and inequivalent lattice vectors are given. [ABSTRACT FROM AUTHOR]

Subjects

Subjects :
*POLYNOMIALS
*LATTICE theory

Details

Language :
English
ISSN :
00219606
Volume :
90
Issue :
12
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
7640809
Full Text :
https://doi.org/10.1063/1.456261