English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/50468
Share/Impact:
Statistics
logo share SHARE logo core CORE   Add this article to your Mendeley library MendeleyBASE

Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL
Exportar a otros formatos:
Title

Ab initio electronic structure of thallium-based topological insulators

AuthorsEremeev, S. V.; Bihlmayer, G.; Vergniory, M.; Koroteev, Yuri M.; Menshchikova, Tatiana V.; Henk, J.; Ernst, A.; Chulkov, Eugene V.
Issue Date2011
PublisherAmerican Physical Society
CitationPhysical Review B 83(20): 205129 (2011)
AbstractWe analyze the crystal and electronic structures of Tl-based strong topological insulators TlSbTe2, TlSbSe2, TlBiTe2, and TlBiSe2 by using first-principles calculation results. The topological nature of these materials is characterized by a single Dirac cone at the Γ̄ point. Aside from the latter robust surface state (SS), we find trivial SSs at (around) the Fermi level for large momenta as well as deep trivial SSs at (around) Γ̄. The calculated energy cuts show an isotropic shape of the Dirac cone and a simple spin structure of the cone. The strong dependence of electronic structure on both optimization of the chalcogenide atom position in bulk and surface relaxations, as well as the slow convergence of the Dirac cone with respect to the film thickness, are discussed. The situation in the thallides is contrasted with results for isostructural indium compounds InBiTe2 and InSbTe2, the latter not being topological insulators.
URIhttp://hdl.handle.net/10261/50468
DOI10.1103/PhysRevB.83.205129
Identifiersdoi: 10.1103/PhysRevB.83.205129
issn: 1098-0121
Appears in Collections:(CFM) Artículos
Files in This Item:
File Description SizeFormat 
356558.pdf1,93 MBUnknownView/Open
Show full item record
Review this work
 

Related articles:


WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.