<div class="csl-bib-body">
<div class="csl-entry">Afonso, J. F., & Kunes, J. (2017). Excitonic magnetism in 𝑑<sup>6</sup> perovskites. <i>Physical Review B</i>, <i>95</i>(11), Article 115131. https://doi.org/10.1103/physrevb.95.115131</div>
</div>
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dc.identifier.issn
2469-9950
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/147356
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dc.description.abstract
We use the LDA+U method to study the possibility of exciton condensation in perovskites of transition metals with the d6 electronic configuration such as LaCoO3. For realistic interaction parameters we find several distinct solutions exhibiting a spin-triplet exciton condensate, which gives rise to a local spin density distribution while the ordered moments are vanishingly small. Rhombohedral distortion from the ideal cubic structure suppresses the ordered state, contrary to the spin-orbit coupling which enhances the excitonic condensation energy. We explain the trends observed in the numerical simulations with the help of a simplified strong-coupling model. Our results indicate that LaCoO3 is close to the excitonic instability and suggest ways how to achieve the exciton condensation.
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.title
Excitonic magnetism in 𝑑⁶ perovskites
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dc.type
Artikel
de
dc.type
Article
en
dc.type.category
Original Research Article
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tuw.container.volume
95
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tuw.container.issue
11
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tuw.journal.peerreviewed
true
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tuw.peerreviewed
true
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tuw.researchTopic.id
M4
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tuw.researchTopic.id
C1
-
tuw.researchTopic.name
Non-metallic Materials
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tuw.researchTopic.name
Computational Materials Science
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tuw.researchTopic.value
20
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tuw.researchTopic.value
80
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dcterms.isPartOf.title
Physical Review B
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tuw.publication.orgunit
E138-02 - Forschungsbereich Correlations: Theory and Experiments
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tuw.publisher.doi
10.1103/physrevb.95.115131
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dc.identifier.articleid
115131
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dc.identifier.eissn
2469-9969
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dc.description.numberOfPages
8
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wb.sci
true
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wb.sciencebranch
Physik, Astronomie
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wb.sciencebranch.oefos
1030
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wb.facultyfocus
Physik der Materie
de
wb.facultyfocus
Physics of Matter
en
wb.facultyfocus.faculty
E130
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item.openairetype
research article
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item.openairecristype
http://purl.org/coar/resource_type/c_2df8fbb1
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item.fulltext
no Fulltext
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item.cerifentitytype
Publications
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item.languageiso639-1
en
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item.grantfulltext
restricted
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crisitem.author.dept
E138-02 - Forschungsbereich Correlations: Theory and Experiments
-
crisitem.author.dept
E138-02 - Forschungsbereich Correlations: Theory and Experiments