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Tuning band inversion symmetry of buckled III-Bi sheets by halogenation
Linköpings universitet, Institutionen för fysik, kemi och biologi. Linköpings universitet, Tekniska fakulteten. University of Federal Bahia, Brazil.
University of Federal Bahia, Brazil.
University of Federal Bahia, Brazil.
University of Federal Bahia, Brazil.
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2016 (Engelska)Ingår i: Nanotechnology, ISSN 0957-4484, E-ISSN 1361-6528, Vol. 27, nr 5, s. 1-11, artikel-id 055704Artikel i tidskrift (Refereegranskat) Published
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Abstract [en]

First-principles calculations are employed to investigate structural, electronic and topological insulating properties of XBi (X = B, Al, Ga, and In) monolayers upon halogenation. It is known that Y-XBi (X = Ga, In, Tl; Y = F, Cl, Br, I) can originate inversion-asymmetric topological insulators with large bulk band gaps. Our results suggest that Y-XBi (X = B, Al; Y = F, Cl, Br, I) may also result in nontrivial topological insulating phases. Despite the lower atomic number of B and Al, the spin-orbit coupling opens a band gap of about 400 meV in Y-XBi (X = B, Al), exhibiting an unusual electronic behavior for practical applications in spintronics. The nature of the bulk band gap and Dirac-cone edge states in their nanoribbons depends on the group-III elements and Y chemical species. They lead to a chemical tunability, giving rise to distinct band inversion symmetries and exhibiting Rashba-type spin splitting in the valence band of these systems. These findings indicate that a large family of Y-XBi sheets can exhibit nontrivial topological characteristics, by a proper tuning, and open a new possibility for viable applications at room temperature.

Ort, förlag, år, upplaga, sidor
IOP PUBLISHING LTD , 2016. Vol. 27, nr 5, s. 1-11, artikel-id 055704
Nyckelord [en]
bismuth-based 2D materials; topological insulators; halogenation; spin-orbit coupling
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URN: urn:nbn:se:liu:diva-125293DOI: 10.1088/0957-4484/27/5/055704ISI: 000368894300018PubMedID: 26752271OAI: oai:DiVA.org:liu-125293DiVA, id: diva2:906418
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Funding Agencies|Swedish Research Council (VR) through the Swedish Research links project [348-2014-4249]; Linkoping Linnaeus Initiative for Novel Functionalized Materials (LiLi-NFM, VR); Swedish Foundation for Strategic Research (SSF) Synergy Grant on Functional Carbides and Advanced Surface Engineering (FUNCASE) [RMA11-0029]; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq); Fundacao de Amparo a Pesquisa do Estado da Bahia (FAPESB); Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES)

Tillgänglig från: 2016-02-24 Skapad: 2016-02-19 Senast uppdaterad: 2017-11-30

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Kakanakova-Gueorguie, AneliaGueorguiev, Gueorgui Kostov

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