THE SYMMETRY OF INTERATOMIC LATTICE POTENTIALS IN GENERAL CRYSTAL-STRUCTURES .1. BASIC THEORY

被引:22
作者
BUGAEV, VN
CHEPULSKII, RV
机构
来源
ACTA CRYSTALLOGRAPHICA SECTION A | 1995年 / 51卷
关键词
D O I
10.1107/S0108767394012213
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Within the framework of a generalized model of a multicomponent lattice gas, the symmetry properties of many-particle interatomic potentials are investigated. The relations of the invariance (with respect to the symmetry transformations) for the potentials and the relationships between their Fourier components are represented in a form convenient to check the symmetry adequacy of microscopic model potentials in real as well as in reciprocal space. The method of statistical-thermodynamic description of multicomponent solid solutions is suggested, taking into consideration the symmetry changes of interatomic potentials due to the structural phase transformations.
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页码:456 / 462
页数:7
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