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Tuning band inversion symmetry of buckled III-Bi sheets by halogenation
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering. 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 (English)In: Nanotechnology, ISSN 0957-4484, E-ISSN 1361-6528, Vol. 27, no 5, 1-11 p., 055704Article in journal (Refereed) PublishedText
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.

Place, publisher, year, edition, pages
IOP PUBLISHING LTD , 2016. Vol. 27, no 5, 1-11 p., 055704
Keyword [en]
bismuth-based 2D materials; topological insulators; halogenation; spin-orbit coupling
National Category
Condensed Matter Physics Other Physics Topics
URN: urn:nbn:se:liu:diva-125293DOI: 10.1088/0957-4484/27/5/055704ISI: 000368894300018PubMedID: 26752271OAI: diva2:906418

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)

Available from: 2016-02-24 Created: 2016-02-19 Last updated: 2016-03-08

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Kakanakova-Gueorguie, AneliaGueorguiev, Gueorgui Kostov
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