Self-energy corrections in transition metal oxides
| Autor: | M. Posternak, Sandro Massidda, A. Baldereschi, Alessandra Continenza |
|---|---|
| Rok vydání: | 1997 |
| Předmět: |
Materials science
Condensed matter physics Magnetic moment Non-blocking I/O Inverse photoemission spectroscopy Electronic structure Condensed Matter Physics Electronic Optical and Magnetic Materials Self-energy Transition metal Condensed Matter::Superconductivity Quasiparticle Condensed Matter::Strongly Correlated Electrons Electrical and Electronic Engineering Electronic band structure |
| Zdroj: | Physica B: Condensed Matter. :324-327 |
| ISSN: | 0921-4526 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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