FERMI-SURFACE OF TH WITHIN LOCAL-DENSITY FUNCTIONAL THEORY

被引：3
作者：
HIGUCHI, M
YAMAGAMI, H
HASEGAWA, A
机构：
[1] TOHOKU UNIV, FAC SCI, DEPT PHYS, SENDAI, MIYAGI 980, JAPAN
[2] NIIGATA UNIV, FAC SCI, DEPT PHYS, NIIGATA 95021, JAPAN
来源：
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 1994年 / 63卷 / 12期
关键词：
TH; BAND THEORY; LOCAL-DENSITY APPROXIMATION; RELATIVISTIC APW METHOD; ENERGY BAND STRUCTURE; FERMI SURFACE; DENSITY OF STATES;
D O I：
10.1143/JPSJ.63.4463
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The energy band structure, particularly the Fermi surface, is calculated for fee Th by a self-consistent, relativistic augmented-plane-wave method with the exchange and correlation potential in a local-density approximation. The extremal cross-sectional area of the Fermi surface is calculated carefully as a function of the direction of the normal on the {100} and {110} planes, which has been so far calculated only in three high-symmetry directions, and compared with the experimental results for the de Haas-van Alphen (dHvA) effect measured by Boyle and Gold (1969). As a result, it becomes possible to identify the origin of many dHvA frequency branches much more clearly. In addition, a new assignment of the theoretical and the experimental dHvA frequency branches is proposed, and the existence of several new dHvA frequency branches is predicted also.
引用
收藏
页码：4463 / 4474
页数：12
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