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http://dx.doi.org/10.18419/opus-10718
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DC Element | Wert | Sprache |
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dc.contributor.author | Krüger, Ekkehard | - |
dc.date.accessioned | 2020-01-31T13:47:24Z | - |
dc.date.available | 2020-01-31T13:47:24Z | - |
dc.date.issued | 2019 | de |
dc.identifier.issn | 2073-8994 | - |
dc.identifier.other | 1689038004 | - |
dc.identifier.uri | http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-107353 | de |
dc.identifier.uri | http://elib.uni-stuttgart.de/handle/11682/10735 | - |
dc.identifier.uri | http://dx.doi.org/10.18419/opus-10718 | - |
dc.description.abstract | We report evidence that the experimentally observed small deformation of antiferromagnetic NiO modifies the symmetry of the crystal in such a way that the antiferromagnetic state becomes an eigenstate of the electronic Hamiltonian. This deformation closely resembles a rhombohedral contraction, but does not possess the perfect symmetry of a trigonal (rhombohedral) space group. We determine the monoclinic base centered magnetic space group of the antiferromagnetic structure within the deformed crystal which is strongly influenced by the time-inversion symmetry of the Hamiltonian. The antiferromagnetic state is evidently stabilized by a nonadiabatic atomic-like motion of the electrons near the Fermi level. This atomic-like motion is characterized by the symmetry of the Bloch functions near the Fermi level and provides in NiO a perfect basis for a Mott insulator in the antiferromagnetic phase. | en |
dc.language.iso | en | de |
dc.relation.uri | doi:10.3390/sym12010056 | de |
dc.rights | info:eu-repo/semantics/openAccess | de |
dc.subject.ddc | 530 | de |
dc.title | Structural distortion stabilizing the antiferromagnetic and insulating ground state of NiO | en |
dc.type | article | de |
ubs.fakultaet | Chemie | de |
ubs.institut | Institut für Materialwissenschaft | de |
ubs.publikation.seiten | 19 | de |
ubs.publikation.source | Symmetry 12 (2020), No. 56 | de |
ubs.publikation.typ | Zeitschriftenartikel | de |
Enthalten in den Sammlungen: | 03 Fakultät Chemie |
Dateien zu dieser Ressource:
Datei | Beschreibung | Größe | Format | |
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symmetry-12-00056-v2.pdf | 875,72 kB | Adobe PDF | Öffnen/Anzeigen |
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