Ab initio transport across bismuth selenide surface barriers

Handle URI:
http://hdl.handle.net/10754/597440
Title:
Ab initio transport across bismuth selenide surface barriers
Authors:
Narayan, Awadhesh; Rungger, Ivan; Droghetti, Andrea; Sanvito, Stefano
Abstract:
© 2014 American Physical Society. We investigate the effect of potential barriers in the form of step edges on the scattering properties of Bi2Se3(111) topological surface states by means of large-scale ab initio transport simulations. Our results demonstrate the suppression of perfect backscattering, while all other scattering processes, which do not entail a complete spin and momentum reversal, are allowed. Furthermore, we find that the spin of the surface state develops an out-of-plane component as it traverses the barrier. Our calculations reveal the existence of quasibound states in the vicinity of the surface barriers, which appear in the form of an enhanced density of states in the energy window corresponding to the topological state. For double barriers we demonstrate the formation of quantum well states. To complement our first-principles results we construct a two-dimensional low-energy effective model and illustrate its shortcomings. Our findings are discussed in the context of a number of recent experimental works.
Citation:
Narayan A, Rungger I, Droghetti A, Sanvito S (2014) Ab initio transport across bismuth selenide surface barriers . Physical Review B 90. Available: http://dx.doi.org/10.1103/physrevb.90.205431.
Publisher:
American Physical Society (APS)
Journal:
Physical Review B
Issue Date:
24-Nov-2014
DOI:
10.1103/physrevb.90.205431
Type:
Article
ISSN:
1098-0121; 1550-235X
Sponsors:
A.N. thanks the Irish Research Council for financial support. I.R., A.D., and S.S. acknowledge additional financial support from KAUST (ACRAB project). Computational resources were provided by the Trinity Centre for High Performance Computing and the Irish Centre for High-End Computing (ICHEC).
Appears in Collections:
Publications Acknowledging KAUST Support

Full metadata record

DC FieldValue Language
dc.contributor.authorNarayan, Awadheshen
dc.contributor.authorRungger, Ivanen
dc.contributor.authorDroghetti, Andreaen
dc.contributor.authorSanvito, Stefanoen
dc.date.accessioned2016-02-25T12:33:17Zen
dc.date.available2016-02-25T12:33:17Zen
dc.date.issued2014-11-24en
dc.identifier.citationNarayan A, Rungger I, Droghetti A, Sanvito S (2014) Ab initio transport across bismuth selenide surface barriers . Physical Review B 90. Available: http://dx.doi.org/10.1103/physrevb.90.205431.en
dc.identifier.issn1098-0121en
dc.identifier.issn1550-235Xen
dc.identifier.doi10.1103/physrevb.90.205431en
dc.identifier.urihttp://hdl.handle.net/10754/597440en
dc.description.abstract© 2014 American Physical Society. We investigate the effect of potential barriers in the form of step edges on the scattering properties of Bi2Se3(111) topological surface states by means of large-scale ab initio transport simulations. Our results demonstrate the suppression of perfect backscattering, while all other scattering processes, which do not entail a complete spin and momentum reversal, are allowed. Furthermore, we find that the spin of the surface state develops an out-of-plane component as it traverses the barrier. Our calculations reveal the existence of quasibound states in the vicinity of the surface barriers, which appear in the form of an enhanced density of states in the energy window corresponding to the topological state. For double barriers we demonstrate the formation of quantum well states. To complement our first-principles results we construct a two-dimensional low-energy effective model and illustrate its shortcomings. Our findings are discussed in the context of a number of recent experimental works.en
dc.description.sponsorshipA.N. thanks the Irish Research Council for financial support. I.R., A.D., and S.S. acknowledge additional financial support from KAUST (ACRAB project). Computational resources were provided by the Trinity Centre for High Performance Computing and the Irish Centre for High-End Computing (ICHEC).en
dc.publisherAmerican Physical Society (APS)en
dc.titleAb initio transport across bismuth selenide surface barriersen
dc.typeArticleen
dc.identifier.journalPhysical Review Ben
dc.contributor.institutionTrinity College Dublin, Dublin, Irelanden
All Items in KAUST are protected by copyright, with all rights reserved, unless otherwise indicated.