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用新发展的金属价键理论,系统分析了金属Zn的电子结构和性质.用单原子状态自洽法确定金属Zn的电子结构为[Ar](3dn)6.2279(3dc)3.7721(4Sc)0.0528(4Sf)1.9472,计算了晶格常数、结合能及势能曲线、各种弹性模量和线膨胀系数随温度的变化.计算结果与实验值符合较好.
With the newly developed metal bond theory, the electronic structure and properties of metal Zn have been systematically analyzed. The electron structure of metal Zn was determined by monatomic self-consistent method [Ar] (3dn) 6.2279 (3dc) 3.7721 (4Sc) 0.0528 (4Sf) 1.9472. The lattice constants, And potential energy curve, various elastic modulus and linear expansion coefficient with temperature changes. The calculated results are in good agreement with the experimental data.