ELECTRONIC-STRUCTURE OF SUPERCONDUCTING BA6C60

被引：43
|
作者：
ERWIN, SC [1 ]
机构：
[1] USN,RES LAB,COMPLEX SYST THEORY BRANCH,WASHINGTON,DC 20375
来源：
PHYSICAL REVIEW B | 1993年 / 47卷 / 21期
关键词：
D O I：
10.1103/PhysRevB.47.14657
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We report the results of first-principles electronic-structure calculations for superconducting Ba6C60. Unlike the A3C60 superconductors, this new compound shows strong Ba-C hybridization in the valence and conduction regions, mixed covalent-ionic bonding character, partial charge transfer, and insulating band structure, with a very small or zero gap within the local-density approximation.
引用
收藏
页码：14657 / 14660
页数：4
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