ORBITAL POLARIZATION AND THE INSULATING GAP IN THE TRANSITION-METAL OXIDES

被引:68
作者
NORMAN, MR
机构
[1] Materials Science Division, Argonne National Laboratory, Argonne
关键词
D O I
10.1103/PhysRevLett.64.1162
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
It is shown that an orbital-polarization correction to a spin-polarized band-structure calculation leads to an insulating gap for CoO, in sharp contrast to a standard band calculation. Orbital-polarization instabilities, though, are not found for FeO and La2CuO4. © 1990 The American Physical Society.
引用
收藏
页码:1162 / 1165
页数:4
相关论文
共 24 条
[1]   LINEAR METHODS IN BAND THEORY [J].
ANDERSEN, OK .
PHYSICAL REVIEW B, 1975, 12 (08) :3060-3083
[2]   ELECTRONIC-STRUCTURE OF MOTT INSULATORS [J].
BRANDOW, BH .
ADVANCES IN PHYSICS, 1977, 26 (05) :651-808
[3]   LARGE ORBITAL-MOMENT CONTRIBUTION TO 5F BAND MAGNETISM [J].
BROOKS, MSS ;
KELLY, PJ .
PHYSICAL REVIEW LETTERS, 1983, 51 (18) :1708-1711
[4]   CALCULATED GROUND-STATE PROPERTIES OF LIGHT ACTINIDE METALS AND THEIR COMPOUNDS [J].
BROOKS, MSS .
PHYSICA B & C, 1985, 130 (1-3) :6-12
[5]   META-MAGNETISM IN UCOAL [J].
ERIKSSON, O ;
JOHANSSON, B ;
BROOKS, MSS .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1989, 1 (25) :4005-4011
[6]  
ERIKSSON O, IN PRESS PHYS REV B
[7]   EXPLICIT LOCAL EXCHANGE-CORRELATION POTENTIALS [J].
HEDIN, L ;
LUNDQVIS.BI .
JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1971, 4 (14) :2064-&
[8]   CALCULATION OF COULOMB-INTERACTION PARAMETERS FOR LA2CUO4 USING A CONSTRAINED-DENSITY-FUNCTIONAL APPROACH [J].
HYBERTSEN, MS ;
SCHLUTER, M ;
CHRISTENSEN, NE .
PHYSICAL REVIEW B, 1989, 39 (13) :9028-9041
[9]  
KANAMORI J, 1957, PROG THEOR PHYS, V17, P197, DOI 10.1143/PTP.17.197
[10]   THEORY OF THE MAGNETIC PROPERTIES OF FERROUS AND COBALTOUS OXIDES .1. [J].
KANAMORI, J .
PROGRESS OF THEORETICAL PHYSICS, 1957, 17 (02) :177-196