Self-energy corrections in transition metal oxides

被引:3
作者
Massidda, S
Continenza, A
Posternak, M
Baldereschi, A
机构
[1] UNIV AQUILA,DIPARTIMENTO FIS,IST NAZL FIS MAT,I-67100 LAQUILA,ITALY
[2] INST ROMAND RECH NUMER PHYS MAT,CH-1015 LAUSANNE,SWITZERLAND
来源
PHYSICA B | 1997年 / 237卷
关键词
electronic structure; self-energy; magnetic moments; transition metal oxides;
D O I
10.1016/S0921-4526(97)00197-X
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
We calculate the quasiparticle band structure of MnO, NiO and CaCuO2 using a model self-energy correction which closely approximates the GW method, Relative to LSD, our results substantially improve the agreement with photoemission experiments, energy gaps and magnetic moments. Our results demonstrate that the addition of self-energy corrections to LSD band calculations provide a meaningful description of many aspects of the electronic states of transition metal oxides. Satellite structures found in photoemission experiments, however, are not found in our calculation.
引用
收藏
页码:324 / 327
页数:4
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