中国有色金属学报(英文版)
Transactions of Nonferrous Metals Society of China
Vol. 2 No. 2 May 1992 |
(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