Analysis of the short-range force including the .GAMMA.-s-type functional force.
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概要
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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.
- 公益社団法人 日本化学会の論文
著者
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Murata Hiromu
Department of Chemistry, Faculty of Science, Hiroshima University
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Shiro Yuji
Department of Chemistry, Faculty of Science, Hiroshima University
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Miura Mitiko
Faculty of the School of Education, Hiroshima University
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