Bilayers of Ni3C12S12 and Pt3C12S12: graphene-like 2D topological insulators tunable by electric fields

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dc.creatorOrlando José Silveira Júnior
dc.creatorErika Nascimento Lima
dc.creatorHelio Chacham
dc.date.accessioned2024-02-19T15:50:20Z
dc.date.accessioned2025-09-08T23:21:32Z
dc.date.available2024-02-19T15:50:20Z
dc.date.issued2017
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.identifier.doihttps://doi.org/10.1088/1361-648X/aa8ec1
dc.identifier.issn1361-648X
dc.identifier.urihttps://hdl.handle.net/1843/64209
dc.languageeng
dc.publisherUniversidade Federal de Minas Gerais
dc.relation.ispartofJournal of Physics: Condensed Matter
dc.rightsAcesso Restrito
dc.subjectIsoladores topológicos
dc.subjectPropriedades eletrônicas
dc.subject.otherTopological insulators
dc.subject.otherMetal-organic frameworks
dc.subject.otherElectronic properties
dc.titleBilayers of Ni3C12S12 and Pt3C12S12: graphene-like 2D topological insulators tunable by electric fields
dc.typeArtigo de periódico
local.citation.epage9
local.citation.issue46
local.citation.spage1
local.citation.volume29
local.description.resumoIn the present work we predict, through first-principles calculations, that bilayers of the recently synthesized Ni 3C12S 12 and Pt 3C12S 12 layered materials are topological insulators upon electron doping, and that their topological insulator properties can be modulated by the application of electric fields with magnitudes achievable in devices. The electronic structures of both bilayers are characterized by spin–orbit split graphene-like bands, with gap magnitudes that are three orders of magnitude larger than graphene’s. In ribbon geometries, chiral edge modes develop at each side with band dispersions similar to that of Kane–Mele graphene model. Surprisingly, the edge states’ spin-propagation locking occurs even for very thin ribbons. We also find that the response of the electronic structure of both materials to applied electric fields are similar to both graphene and the Kane–Mele model with a Rashba term. All these findings indicate that these bilayer systems can be considered as large-spin–orbit graphene analogues with a strong sensitivity to applied electric fields.
local.identifier.orcidhttps://orcid.org/0000-0002-0403-9485
local.identifier.orcidhttps://orcid.org/0000-0002-0670-9737
local.identifier.orcidhttps://orcid.org/0000-0001-5041-9094
local.publisher.countryBrasil
local.publisher.departmentICX - DEPARTAMENTO DE FÍSICA
local.publisher.initialsUFMG
local.url.externahttps://iopscience.iop.org/article/10.1088/1361-648X/aa8ec1

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