SELF-ENERGY CORRECTIONS IN TRANSITION-METAL OXIDES

Citation
S. Massidda et al., SELF-ENERGY CORRECTIONS IN TRANSITION-METAL OXIDES, Physica. B, Condensed matter, 237, 1997, pp. 324-327
Citations number
14
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
09214526
Volume
237
Year of publication
1997
Pages
324 - 327
Database
ISI
SICI code
0921-4526(1997)237:<324:SCITO>2.0.ZU;2-3
Abstract
We calculate the quasiparticle band structure of MnO, NiO and CaCuO2 u sing a model self-energy correction which closely approximates the GW method, Relative to LSD, our results substantially improve the agreeme nt with photoemission experiments, energy gaps and magnetic moments. O ur results demonstrate that the addition of self-energy corrections to LSD band calculations provide a meaningful description of many aspect s of the electronic states of transition metal oxides. Satellite struc tures found in photoemission experiments, however, are not found in ou r calculation.