The atomic-start description of NiO

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dc.creatorRadwanski, R. J.
dc.creatorRopka, Z.
dc.date2005-03-16
dc.date.accessioned2026-07-07T10:08:15Z
dc.date.available2026-07-07T10:08:15Z
dc.descriptionWe have calculated magnetic properties and the electronic structure of NiO both in the paramagnetic and in magnetically-ordered state as well as zero-temperature properties and thermodynamics within the strongly-correlated crystal-field approach. It is in agreement with a Mott's suggestion that NiO is an insulator due to strong electron correlations. We have quantified crystal-field, spin-orbit and magnetic interactions of the Ni2+ ion in NiO. We have obtained that E_dd >> E_CF(=2.0 eV) >> E_{s-o}(=0.29 eV) > E_mag(=0.07 eV). The orbital moment of 0.54 mu_B amounts at 0 K, in the magnetically-ordered state, to about 20% of the total moment (2.53 mu_B). Our studies indicate that it is the highest time to "unquench" orbital magnetic moment in 3d solid-state physics and the necessity to take always into account strong intra-atomic correlations among d electrons and the intra-atomic spin-orbit coupling. Pacs: 75.25.+z, 75.10.Dg Keywords: Crystalline Electric Field, 3d oxides, magnetism, spin-orbit coupling NiO
dc.description4 pages in ReVTeX4, 4 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0503407
dc.identifierhttp://arxiv.org/abs/cond-mat/0503407
dc.identifierActa Physica 18 (2008) 9
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/170929
dc.subjectStrongly Correlated Electrons
dc.titleThe atomic-start description of NiO
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