First-principles determination of charge and orbital interactions in Fe[subscript 3]O[subscript]4
The interactions between charge and orbitally ordered d electrons are important in many transition-metal oxides. We propose an effective energy model for such interactions, parameterized with density-functional theory plus U calculations, so that energy contributions of both electronic and lattice...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
American Physical Society
2010
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| Online Access: | http://hdl.handle.net/1721.1/58787 https://orcid.org/0000-0001-9659-4648 |