ELECTRONIC BAND STRUCTURES OF CE3PT3SB4 AND CE3PT3BI4

被引:43
作者
TAKEGAHARA, K
HARIMA, H
KANETA, Y
YANASE, A
机构
[1] TOHOKU UNIV, EDUC CTR INFORMAT PROC, SENDAI, MIYAGI 980, JAPAN
[2] UNIV OSAKA PREFECTURE, COLL INTEGRATED ARTS & SCI, SAKAI 593, JAPAN
[3] TOHOKU UNIV, DEPT PHYS, SENDAI, MIYAGI 980, JAPAN
关键词
BAND THEORY; ENERGY GAP; ITINERANT F-ELECTRONS; CE3PT3SB4; CE3PT3BI4;
D O I
10.1143/JPSJ.62.2103
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
One-electron energy band structures for Ce3Pt3X4 (X = Sb and Bi), which belong to the valence fluctuation regime with an energy gap, are calculated by a self-consistent LAPW method with the local density approximation. The valence bands consist of the X p and the Pt 5d states and the conduction bands are derived from the Ce 5d states. With depressing the valence bands, the empty Ce 4f bands are located between these bands and thus a narrow band gap appears at the Fermi level. This result explains reasonably the semiconductor-like property of these compounds.
引用
收藏
页码:2103 / 2111
页数:9
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