UNIFORM ELECTRON-GAS FOR TRANSITION-METALS - INPUT PARAMETERS

被引:32
作者
ROSE, JH [1 ]
SHORE, HB [1 ]
机构
[1] SAN DIEGO STATE UNIV, DEPT PHYS, SAN DIEGO, CA 92182 USA
来源
PHYSICAL REVIEW B | 1993年 / 48卷 / 24期
关键词
D O I
10.1103/PhysRevB.48.18254
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Input parameters are reported for the theory of ideal metals, a uniform electron-gas model of the elemental transition metals. These input parameters, the electron density, and the ''bonding valence,'' have been given previously for the 3d and 4d series of transition metals. Here, we extend our work based on recent calculations of Sigalas er al. [Phys. Rev. B 45, 5777 (1992)] to include the 5d series. We have also calculated the cohesive energies of the 5d transition metals using the theory of ideal metals with these parameters. The calculations agree with experiment to within +/-25%.
引用
收藏
页码:18254 / 18256
页数:3
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