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Revisiting the Structural, Electronic, and Magnetic Properties of (LaO)MnAs: Effect of Hubbard Correction and Origin of Mott-Insulating Behavior
[Image: see text] We study the structural, electronic, and magnetic properties of the antiferromagnetic-layered oxyarsenide (LaO)MnAs system from the first-principle calculation. The increasing Hubbard energy (U) in the Mn 3d orbital induces the increasing local-symmetry distortions (LSDs) in MnAs(4...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7906576/ https://www.ncbi.nlm.nih.gov/pubmed/33644556 http://dx.doi.org/10.1021/acsomega.0c05889 |