Transactions of Nonferrous Metals Society of China The Chinese Journal of Nonferrous Metals

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中国有色金属学报(英文版)

Transactions of Nonferrous Metals Society of China

Vol. 2    No. 2    May 1992

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ELECTRONIC STRUCTURE AND PROPERTIES OF Au METAL
Xie Youqing , Zhang Xiaodong, Ma Xiulin, Zhao Liying

Central South University of Technology, Changsha 410083, China

Abstract:Using the new developed valence bond theory of metals, the electronic structure> crystal structure and physical properties of Au metal have been systematically analysed. It has been determined that its electronic structure is (5dn)4.65(Sdc)4.71(6sc)0.62(6s­f)1.02.According to this electronic structure, lattice constant, cohesive energy, potential curve, bulk modulus and temperature dependence of liner thermal expansion coefficient have been calculated. The theoretical values of properties are all in good agreement with experimental results. This electronic structure has been verified in part by linear rigorous cellular method of band theory. It shows that the valence bond theory has been reached perfectly.

 

Key words: Au  electronic structure   potential function   lattice constant   cohesive energy   thermal expansion coefficient

ISSN 1004-0609
CN 43-1238/TG
CODEN: ZYJXFK

ISSN 1003-6326
CN 43-1239/TG
CODEN: TNMCEW

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