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dc.contributor.authorZhang, Qingyun
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2016-01-27T13:17:42Z
dc.date.available2016-01-27T13:17:42Z
dc.date.issued2016-01-21
dc.identifier.citationEmergence of Dirac and quantum spin Hall states in fluorinated monolayer As and AsSb 2016, 93 (4) Physical Review B
dc.identifier.issn2469-9950
dc.identifier.issn2469-9969
dc.identifier.doi10.1103/PhysRevB.93.045312
dc.identifier.urihttp://hdl.handle.net/10754/594973
dc.description.abstractUsing first-principles calculations, we investigate the electronic and vibrational properties of monolayer As and AsSb. While the pristine monolayers are semiconductors (direct band gap at the Γ point), fluorination results in Dirac cones at the K points. Fluorinated monolayer As shows a band gap of 0.16 eV due to spin-orbit coupling, and fluorinated monolayer AsSb a larger band gap of 0.37 eV due to inversion symmetry breaking. Spin-orbit coupling induces spin splitting similar to monolayer MoS2. Phonon calculations confirm that both materials are dynamically stable. Calculations of the edge states of nanoribbons by the tight-binding method demonstrate that fluorinated monolayer As is topologically nontrivial in contrast to fluorinated monolayer AsSb.
dc.language.isoen
dc.publisherAmerican Physical Society (APS)
dc.relation.urlhttp://link.aps.org/doi/10.1103/PhysRevB.93.045312
dc.rightsArchived with thanks to Physical Review B
dc.titleEmergence of Dirac and quantum spin Hall states in fluorinated monolayer As and AsSb
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalPhysical Review B
dc.eprint.versionPublisher's Version/PDF
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personZhang, Qingyun
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2018-06-13T22:20:30Z


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