Spin State of Negative Charge-Transfer MaterialSrCoO3
| Autor: | Nicolaus Parragh, Alessandro Toschi, Jan Kuneš, Vlastimil Křápek, Anton Kozhevnikov, Giorgio Sangiovanni |
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| Rok vydání: | 2012 |
| Předmět: |
Physics
Condensed Matter - Materials Science Strongly Correlated Electrons (cond-mat.str-el) Spin states Condensed matter physics Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences General Physics and Astronomy 02 engineering and technology Magnetic response Electronic structure 021001 nanoscience & nanotechnology 01 natural sciences Condensed Matter - Strongly Correlated Electrons Transfer (group theory) Superposition principle Ferromagnetism Negative charge 0103 physical sciences Condensed Matter::Strongly Correlated Electrons Density functional theory 010306 general physics 0210 nano-technology |
| Zdroj: | Physical Review Letters. 109 |
| ISSN: | 1079-7114 0031-9007 |
| DOI: | 10.1103/physrevlett.109.117206 |
| Popis: | We employ the combination of the density functional and the dynamical mean-field theory (LDA+DMFT) to investigate the electronic structure and magnetic properties of SrCoO3, monocrystal of which were prepared recently. Our calculations lead to a ferromagnetic metal in agreement with experiment. We find that, contrary to some suggestions, the local moment in SrCoO3 does not arise from intermediate spin state, but is a result of coherent superposition of many different atomic states. We discuss how attribution of magnetic response to different atomic states in solids with local moments can be quantified. Comment: 5 pages, 5 figures |
| Databáze: | OpenAIRE |
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