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Please use this identifier to cite or link to this item: http://hdl.handle.net/1843/64160
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dc.creatorOrlando José Silveira Júniorpt_BR
dc.creatorLuiz Cláudio de Carvalhopt_BR
dc.creatorHoracio Wagner Leite Alvespt_BR
dc.creatorHelio Chachampt_BR
dc.date.accessioned2024-02-19T13:22:21Z-
dc.date.available2024-02-19T13:22:21Z-
dc.date.issued2019-
dc.citation.volume31pt_BR
dc.citation.issue43pt_BR
dc.citation.spage1pt_BR
dc.citation.epage8pt_BR
dc.identifier.doihttps://doi.org/10.1088/1361-648X/ab3270pt_BR
dc.identifier.issn1361-648Xpt_BR
dc.identifier.urihttp://hdl.handle.net/1843/64160-
dc.description.resumoWe report a theoretical investigation of magnetic, electronic, and topological properties of Hg1−xMnxTe alloys. We consider periodic structures with Mn concentrations as x  =  0, 0.25, 0.5, 0.75, and 1. Our hybrid DFT/Hartree–Fock calculations for the bandgaps of antiferromagnetic (ground-state) phases are in good agreement with experiments. The calculations also show that the modification of the magnetic ordering from anti- to ferromagnetic leads to a significant bandgap reduction, resulting in a metal/insulator transition at higher Mn concentrations. We show that a ferromagnetic Weyl semimetal phase is achieved for x  =  0.25, where a single pair of Weyl nodes mirrored by the point in the momentum space is observed. The non-trivial topological property of the ferromagnetic Hg0.75Mn0.25Te is confirmed by the calculation of the chirality of each Weyl node, which are connected by a surface Fermi arc of a semi infinite Hg0.75Mn0.25Te.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.ispartofJournal of Physics: Condensed Matter-
dc.rightsAcesso Restritopt_BR
dc.subjectWeyl semimetalpt_BR
dc.subjectMagnetismpt_BR
dc.subjectAlloyspt_BR
dc.subjectDensity functional theorypt_BR
dc.subject.otherMagnetismopt_BR
dc.subject.otherLigaspt_BR
dc.subject.otherTeoria do funcional da densidadept_BR
dc.titleInterplay between magnetic, metal/insulator and topological phases in Hg1−xMnxTe alloys: prediction of a ferromagnetic Weyl semimetal at x  =  0.25pt_BR
dc.typeArtigo de Periódicopt_BR
dc.url.externahttps://iopscience.iop.org/article/10.1088/1361-648X/ab3270pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-0403-9485pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0003-1434-6582pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0003-1612-2523pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0001-5041-9094pt_BR
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