ELECTRONIC STRUCTURE AND PROPERTIES OF Au METAL
来源期刊：中国有色金属学报(英文版)1992年第2期
论文作者：Xie, Youqing Zhang, Xiaodong Ma, Xiulin Zhuo, Liying
文章页码：56 - 61
Key words：Au electronic structure ; potential function ; lattice constant ; cohesive energy; thermal expansion coefficient
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(6s f)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.
