ELECTRONIC-STRUCTURE OF QUASI-2-DIMENSIONAL BANIS2

被引：0
|
作者：
MATTHEISS, LF
机构：
[1] AT&T Bell Lab, Murray Hill, United States
来源：
SOLID STATE COMMUNICATIONS | 1995年 / 93卷 / 11期
关键词：
METALS; INSULATORS; ELECTRONIC BAND STRUCTURE;
D O I：
暂无
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The band properties of layered BaNiS2, an end member of the BaCo1-xNixS2-y alloy series which exhibits an insulator-to-metal transition with decreasing temperature, have been calculated via the linear augmented-plane-wave method. The results feature a broad (-8.5 eV) Ni(3d)-S(3p) valence manifold, with partially-filled d(x-y)(22)-type sigma(*) bands near E(F) that are overlapped by d(3z-r)(22) and d(xz)-d(yz) subbands. Although BaNiS 2 shares structural and electronic characteristics with cuprate high-T-c superconductors, its calculated band properties near E(F) are decidedly less two dimensional than those of typical cuprates like La2CuO4.
引用
收藏
页码：879 / 883
页数：5
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