VO2 - PEIERLS OR MOTT-HUBBARD - A VIEW FROM BAND THEORY

被引：611

作者：

WENTZCOVITCH, RM

SCHULZ, WW

ALLEN, PB

机构：

[1] UNIV CAMBRIDGE, CAVENDISH LAB, CAMBRIDGE CB3 0HE, ENGLAND

[2] SUNY STONY BROOK, DEPT PHYS, STONY BROOK, NY 11794 USA

来源：

PHYSICAL REVIEW LETTERS | 1994年 / 72卷 / 21期

关键词：

D O I：

10.1103/PhysRevLett.72.3389

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The electronic and structural properties of VO2 across its metal-insulator transition are studied using the local-density approximation. Band theory finds a monoclinic distorted ground state in good agreement with experiment, and an almost open gap to charge excitations. Although rigid criteria for distinguishing correlated from band insulators are not available, these findings suggest that VO2 may be more bandlike than correlated.

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收藏

页码：3389 / 3392

页数：4

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