Quasiparticle band structure of lanthanum hydride

被引：10

作者：

Chang, EK ^{[1
]}

Blase, X

Louie, SG

机构：

[1] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA

[2] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA

[3] Univ Lyon 1, Dept Phys Mat, UMR 5586, F-69622 Villeurbanne, France

来源：

PHYSICAL REVIEW B | 2001年 / 64卷 / 15期

关键词：

D O I：

10.1103/PhysRevB.64.155108

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We address the problem of the ground-state character of LaH3, a semiconductor compound predicted to be semimetallic within density-functional theory. An ab initio, quasiparticle calculation is peformed whose. results indicate a very large 1.1 eV opening of the band gap. Such results are obtained using the GW approximation in the calculation of the self-energy operator. The results are compared to existing experimental data.

引用

页数：5