<div class="csl-bib-body">
<div class="csl-entry">Pourovskii, L. V., & Khmelevskyi, S. (2019). Quadrupolar superexchange interactions, multipolar order, and magnetic phase transition in UO₂. <i>Physical Review B</i>, <i>99</i>(9), Article 094439. https://doi.org/10.1103/physrevb.99.094439</div>
</div>
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dc.identifier.issn
2469-9950
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/142848
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dc.description.abstract
The origin of noncollinear magnetic order in UO2 is studied by an ab initio dynamical-mean-field-theory framework in conjunction with a linear-response approach for evaluating intersite superexchange interactions between U5f2 shells. The calculated quadrupole-quadruple superexchange interactions are found to unambiguously resolve the frustration of face-centered-cubic U sublattice toward stabilization of the experimentally observed noncollinear 3k-magnetic order. Therefore, the exotic 3k-antiferromagnetic order in UO2 can be accounted for by a purely electronic exchange mechanism acting in the undistorted cubic lattice structure. The quadrupolar short-range order above magnetic ordering temperature TN is found to qualitatively differ from the long-range order below TN.
en
dc.language.iso
en
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dc.publisher
AMER PHYSICAL SOC
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dc.relation.ispartof
Physical Review B
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dc.subject
Quadrupolar superexchange interactions
en
dc.subject
magnetic phase transition
en
dc.subject
multipolar order
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dc.title
Quadrupolar superexchange interactions, multipolar order, and magnetic phase transition in UO₂
en
dc.type
Artikel
de
dc.type
Article
en
dc.type.category
Original Research Article
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tuw.container.volume
99
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tuw.container.issue
9
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tuw.journal.peerreviewed
true
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tuw.peerreviewed
true
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wb.publication.intCoWork
International Co-publication
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tuw.researchTopic.id
M2
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tuw.researchTopic.name
Materials Characterization
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tuw.researchTopic.value
100
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dcterms.isPartOf.title
Physical Review B
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tuw.publication.orgunit
E134-01 - Forschungsbereich Applied and Computational Physics
