Bulk and surface electronic structure of Bi4 Te3 from GW calculations and photoemission experiments

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buir.contributor.authorDurgun, Engin
buir.contributor.orcidDurgun, Engin|0000-0002-0639-5862
dc.citation.epage034204-9en_US
dc.citation.issueNumber3en_US
dc.citation.spage034204-1en_US
dc.citation.volumeNumber6en_US
dc.contributor.authorNabok, D.
dc.contributor.authorTas, M.
dc.contributor.authorKusaka, S.
dc.contributor.authorDurgun, Engin
dc.contributor.authorFriedrich, C.
dc.contributor.authorBihlmayer, G.
dc.contributor.authorBlügel, S.
dc.contributor.authorHirahara, T.
dc.contributor.authorAguilera, I.
dc.date.accessioned2023-02-16T08:42:01Z
dc.date.available2023-02-16T08:42:01Z
dc.date.issued2022-03-23
dc.departmentInstitute of Materials Science and Nanotechnology (UNAM)en_US
dc.description.abstractWe present a combined theoretical and experimental study of the electronic structure of stoichiometric Bi4Te3, a natural superlattice of alternating Bi2Te3 quintuple layers and Bi bilayers. In contrast to the related semiconducting compounds Bi2Te3 and Bi1Te1, density functional theory predicts Bi4Te3 is a semimetal. In this work, we compute the quasiparticle electronic structure of Bi4Te3 in the framework of the GW approximation within many-body perturbation theory. The quasiparticle corrections are found to modify the dispersion of the valence and conduction bands in the vicinity of the Fermi energy, leading to the opening of a small indirect band gap. Based on the analysis of the eigenstates, Bi4Te3 is classified as a dual topological insulator with bulk topological invariants Z2 (1; 111) and magnetic mirror Chern number nM = 1. The bulk GW results are used to build a Wannier-function-based tight-binding Hamiltonian that is further applied to study the electronic properties of the (111) surface. The comparison with our angle-resolved photoemission measurements shows excellent agreement between the computed and measured surface states and indicates the dual topological nature of Bi4Te3.en_US
dc.description.provenanceSubmitted by Mustafa Er (mer@bilkent.edu.tr) on 2023-02-16T08:42:01Z No. of bitstreams: 1 Bulk and surface electronic structure of Bi4 Te3 from GW calculations and photoemission experiments.pdf: 5865620 bytes, checksum: 2bc72cec09e2a3c61fc21fbb8e8d235a (MD5)en
dc.description.provenanceMade available in DSpace on 2023-02-16T08:42:01Z (GMT). No. of bitstreams: 1 Bulk and surface electronic structure of Bi4 Te3 from GW calculations and photoemission experiments.pdf: 5865620 bytes, checksum: 2bc72cec09e2a3c61fc21fbb8e8d235a (MD5) Previous issue date: 2022-03-23en
dc.identifier.doi10.1103/PhysRevMaterials.6.034204en_US
dc.identifier.eissn2475-9953
dc.identifier.urihttp://hdl.handle.net/11693/111416
dc.language.isoEnglishen_US
dc.publisherAmerican Physical Societyen_US
dc.relation.isversionofhttps://www.doi.org/10.1103/PhysRevMaterials.6.034204en_US
dc.source.titlePhysical Review Materialsen_US
dc.titleBulk and surface electronic structure of Bi4 Te3 from GW calculations and photoemission experimentsen_US
dc.typeArticleen_US

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