ELECTRONIC-STRUCTURE AND PROPERTIES OF NI METAL

被引:0
作者
XIE, YQ
LU, MS
ZHANG, XD
ZHAO, LY
机构
来源
SCIENCE IN CHINA SERIES A-MATHEMATICS PHYSICS ASTRONOMY | 1993年 / 36卷 / 04期
关键词
NI; ELECTRONIC STRUCTURE; POTENTIAL CURVE; ELASTICITY; THERMAL EXPANSION COEFFICIENT; SPECIFIC HEAT;
D O I
暂无
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
By means of one-atom state method, the electronic structure of Ni metal has been determined to be [Ar] (3d(n))2.69(3d(m))0.66(3d(c))5.24(4s(c))0.25(4s(f))1.16, by which the potential curve, lattice constant, cohesive energy, verious elastic moduli and the temperature dependences of linear thermal expansion coefficient and specific heat have been calculated. The theoretical values of these properties are in good agreement with experiments, showing the basic completeness of the systematic analysis of Ni metal along electronic structure-crystal structure-physical properties.
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页码:495 / 503
页数:9
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