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Please use this identifier to cite or link to this item: http://hdl.handle.net/1843/64158
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dc.creatorOrlando José Silveira Júniorpt_BR
dc.creatorGuilherme Almeida Silva Ribeiropt_BR
dc.creatorHelio Chachampt_BR
dc.date.accessioned2024-02-19T13:07:44Z-
dc.date.available2024-02-19T13:07:44Z-
dc.date.issued2020-
dc.citation.volume116pt_BR
dc.citation.issue10pt_BR
dc.citation.spage103103-1pt_BR
dc.citation.epage103103-5pt_BR
dc.identifier.doihttps://doi.org/10.1063/1.5134834pt_BR
dc.identifier.issn1077-3118pt_BR
dc.identifier.urihttp://hdl.handle.net/1843/64158-
dc.description.resumoWe predict that a 2D kagomé-type topological insulator (TI) can be built as a bilayer of a single-layer material that is not a TI. We demonstrate this through first-principles calculations of a class of C6 O6 and C6ðNHÞ6 based 2D metal-organic frameworks. We find that minimum-energy bilayers of two compounds of this class, with stoichiometries NiðCOÞ4 and PdðCOÞ4 , are intrinsic topological insulators although their isolated single-layer components are trivial metals. The first-principles results for the single-layer and bilayer systems are reproduced by tight-binding models. The simplicity of the models suggests that other bilayer TI systems of this type should exist, not necessarily composed of metal-organic frameworks, as long as they are composed of kagomé-type systems in a AA stacking.pt_BR
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológicopt_BR
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Geraispt_BR
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superiorpt_BR
dc.description.sponsorshipINCT – Instituto nacional de ciência e tecnologia (Antigo Instituto do Milênio)pt_BR
dc.languageengpt_BR
dc.publisherUniversidade Federal de Minas Geraispt_BR
dc.publisher.countryBrasilpt_BR
dc.publisher.departmentICX - DEPARTAMENTO DE FÍSICApt_BR
dc.publisher.initialsUFMGpt_BR
dc.relation.ispartofApplied Physics Letters-
dc.rightsAcesso Restritopt_BR
dc.subjectDensity functional theorypt_BR
dc.subjectTight-binding modelpt_BR
dc.subjectFirst-principle calculationspt_BR
dc.subjectQuantum Hall effectpt_BR
dc.subject2D materialspt_BR
dc.subjectTopological insulatorpt_BR
dc.subject.otherTeoria do funcional da densidadept_BR
dc.subject.otherIsoladores topológicospt_BR
dc.titleActivation of topological insulator phase in kagomé-type bilayers by interlayer coupling: the cases of Ni(CO)4 and Pd(CO)4pt_BR
dc.typeArtigo de Periódicopt_BR
dc.url.externahttps://pubs.aip.org/aip/apl/article/116/10/103103/38794/Activation-of-topological-insulator-phase-inpt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-0403-9485pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-4050-9560pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0001-5041-9094pt_BR
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