期刊
PHYSICAL REVIEW B
卷 79, 期 4, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.045107
关键词
crystal structure; electronic density of states; plutonium; spin-orbit interactions; thorium; tight-binding calculations; uranium
资金
- U. S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]
We extend a tight-binding method to include the effects of spin-orbit coupling and apply it to the study of the electronic properties of the actinide elements Th, U, and Pu. These tight-binding parameters are determined for the fcc crystal structure using the equivalent equilibrium volumes. In terms of the single-particle energies and the electronic density of states, the overall quality of the tight-binding representation is good and of the same quality as without spin-orbit coupling. The values of the optimized tight-binding spin-orbit coupling parameters are comparable to those determined from purely atomic calculations.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据