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http://dx.doi.org/10.18419/opus-10718
Autor(en): | Krüger, Ekkehard |
Titel: | Structural distortion stabilizing the antiferromagnetic and insulating ground state of NiO |
Erscheinungsdatum: | 2019 |
Dokumentart: | Zeitschriftenartikel |
Seiten: | 19 |
Erschienen in: | Symmetry 12 (2020), No. 56 |
URI: | http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-107353 http://elib.uni-stuttgart.de/handle/11682/10735 http://dx.doi.org/10.18419/opus-10718 |
ISSN: | 2073-8994 |
Zusammenfassung: | 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. |
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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