ELECTRONIC-STRUCTURES OF BANIS2 AND BACOS2

被引:19
作者
HASE, I
SHIRAKAWA, N
NISHIHARA, Y
机构
[1] Electrotechnical Laboratory
关键词
BACO1-XNIXS2; ELECTRONIC STRUCTURE; BAND-STRUCTURE CALCULATION; FERMI SURFACES; DIMENSIONALITY;
D O I
10.1143/JPSJ.64.2533
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The electronic energy band structures for BaNiS2 and BaCoS2, which are considered as highly correlated layered structure systems, have been calculated by using the scalar-relativistic full-potential linearized augmented plane wave (FLAPW) method within the local-density approximation. The result of the calculation suggests that both compounds are compensated metals. It is found that the calculated Fermi surfaces of both compounds have three-dimensional characters.
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页码:2533 / 2540
页数:8
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