Effect of strain and many-body corrections on the band inversions and topology of bismuth

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dc.contributor.authorKönig, Christian
dc.contributor.authorGreer, James C.
dc.contributor.authorFahy, Stephen B.
dc.contributor.funderScience Foundation Irelanden
dc.contributor.funderNational Natural Science Foundation of Chinaen
dc.date.accessioned2021-08-09T13:46:38Z
dc.date.available2021-08-09T13:46:38Z
dc.date.issued2021-07-15
dc.date.updated2021-08-09T13:35:02Z
dc.description.abstractThe electronic band structure of Bi is calculated using state of the art electronic structure methods, including density functional theory and G0W0 quasiparticle approximations. The delicate ordering of states at the L point of the Brillouin zone, which determines the topological character of the electronic bands, is investigated in detail. The effect on the bands of strain, changing the structural parameters of the rhombohedral crystal structure, is shown to be important in determining this ordering and the resulting topological character.en
dc.description.sponsorshipScience Foundation Ireland (Principal Investigator Award No. 13/IA/1956); National Natural Science Foundation of China (Project Code 61974079)en
dc.description.statusPeer revieweden
dc.description.versionPublished Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.articleid035127en
dc.identifier.citationKönig, C., Greer, J. C. and Fahy, S. (2021) 'Effect of strain and many-body corrections on the band inversions and topology of bismuth', Physical Review B, 104(3), 035127 (10pp). doi: 10.1103/PhysRevB.104.035127en
dc.identifier.doi10.1103/PhysRevB.104.035127en
dc.identifier.eissn2469-9969
dc.identifier.endpage10en
dc.identifier.issn2469-9950
dc.identifier.issued3en
dc.identifier.journaltitlePhysical Review Ben
dc.identifier.startpage1en
dc.identifier.urihttps://hdl.handle.net/10468/11705
dc.identifier.volume104en
dc.language.isoenen
dc.publisherAmerican Physical Societyen
dc.rights© 2021, American Physical Society. All rights reserved.en
dc.subjectElectronic band structureen
dc.subjectBien
dc.subjectDensity functional theoryen
dc.subjectL pointen
dc.subjectBrillouin zoneen
dc.titleEffect of strain and many-body corrections on the band inversions and topology of bismuthen
dc.typeArticle (peer-reviewed)en
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