Bulletin of the Chemical Society of Japan
Online ISSN : 1348-0634
Print ISSN : 0009-2673
ISSN-L : 0009-2673
Analysis of the Short-range Force Including the rs-type Functional Force
Mitiko MiuraYuji ShiroHiromu Murata
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1980 Volume 53 Issue 8 Pages 2205-2211

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Abstract

In treating the lattice dynamics strictly, it is important to separate the short-range forces into various kinds according to their characters: covalent-bond, characteristic repulsive, and van der Waals. The purpose of this paper is to describe a method of separation and an appropriate treatment which is applicable to any crystal with any properties. For the repulsive and the van der Waals interactions, we apply the Jones-type potential function, varying as an inverse power of the distance. The results indicate that the repulsive force serves to emphasize the ionicity in the crystal-force field and that the covalent-bond force cannot be represented reasonably by the use of the valence force to such a crystal as the wurtzite structure, forming a coordination lattice.

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