Interplay between structural deformations and flat band phenomenology in twisted bilayer antimonene

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dc.creatorAlan Custodio dos Reis Souza
dc.creatorMatheus Josué de Souza Matos
dc.creatorMario Sergio de Carvalho Mazzoni
dc.date.accessioned2025-05-14T19:11:02Z
dc.date.accessioned2025-09-08T23:04:28Z
dc.date.available2025-05-14T19:11:02Z
dc.date.issued2021
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológico
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Gerais
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
dc.description.sponsorshipINCT – Instituto nacional de ciência e tecnologia (Antigo Instituto do Milênio)
dc.format.mimetypepdf
dc.identifier.doihttps://doi.org/10.1039/d1ra05301a
dc.identifier.issn2046-2069
dc.identifier.urihttps://hdl.handle.net/1843/82273
dc.languageeng
dc.publisherUniversidade Federal de Minas Gerais
dc.relation.ispartofRSC Advances
dc.rightsAcesso Aberto
dc.subjectPropriedades estruturais
dc.subjectPropriedades eletrônicas
dc.subject.otherAntimonene
dc.subject.otherFlat bands
dc.titleInterplay between structural deformations and flat band phenomenology in twisted bilayer antimonene
dc.typeArtigo de periódico
local.citation.epage27859
local.citation.issue45
local.citation.spage27855
local.citation.volume11
local.description.resumoIn this work we apply first principles calculations to investigate the flat band phenomenology in twisted antimonene bilayer. We show that the relatively strong interlayer interactions which characterize this compound have profound effects in the emergence and properties of the flat bands. Specifically, when the moiré length becomes large enough to create well defined stacking patterns along the structure, out-of-plane displacements take place and are stabilized in the regions dominated by the AB stacking, leading to the emergence of flat bands. The interplay between structural and electronic properties allows for detection of flat bands in higher twist angles comparable to other two-dimensional materials. We also show that their energy position may be modulated by noncovalent functionalization with electron acceptor molecules.
local.identifier.orcidhttps://orcid.org/0000-0002-8395-9465
local.identifier.orcidhttps://orcid.org/0000-0001-5897-6936
local.publisher.countryBrasil
local.publisher.departmentICX - DEPARTAMENTO DE FÍSICA
local.publisher.initialsUFMG
local.url.externahttps://pubs.rsc.org/en/content/articlelanding/2021/ra/d1ra05301a

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