Theoretical aspects of the charge density wave in uranium

被引：65

作者：

Fast, L

Eriksson, O

Johansson, B

Wills, JM

Straub, G

Roeder, H

Nordstrom, L

机构：

[1] Uppsala Univ, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden

[2] Los Alamos Natl Lab, Ctr Mat Sci, Los Alamos, NM 87544 USA

[3] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA

来源：

PHYSICAL REVIEW LETTERS | 1998年 / 81卷 / 14期

关键词：

D O I：

10.1103/PhysRevLett.81.2978

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Using a first principles total energy method, we have reproduced the observed charge density wave (CDW) state of alpha-uranium (called alpha(1)). This CDW is found to be a result of a Peierls-like transition, i.e., by opening of partial gaps at the Fermi level. The part of the Fermi surface affected by the distortion shows a strong nesting of fairly narrow f bands. In addition we suggest that the slightly modified alpha(1) CDW state, which is called alpha(2) and is observed by cooling the alpha(1) phase, is caused by a closely related mechanism, namely, by a nesting of the Fermi surface in the b direction. This is consistent with the observed CDW ordering.

引用

页码：2978 / 2981

页数：4

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