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dc.contributor.authorSaeed, Yasir
dc.contributor.authorSingh, Nirpendra
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2015-04-14T12:50:40Z
dc.date.available2015-04-14T12:50:40Z
dc.date.issued2014-07-21
dc.identifier.citationEnhanced thermoelectric figure of merit in strained Tl-doped Bi2Se3 2014, 105 (3):031915 Applied Physics Letters
dc.identifier.issn0003-6951
dc.identifier.issn1077-3118
dc.identifier.doi10.1063/1.4890858
dc.identifier.urihttp://hdl.handle.net/10754/550088
dc.description.abstractWe explain recent experimental findings on Tl-doped Bi2Se3 by determining the electronic and transport properties by first-principles calculations and semi-classical Boltzmann theory. Though Tl-doping introduces a momentum-dependent spin-orbit splitting, the effective mass of the carriers is essentially not modified, while the band gap is reduced. Tl is found to be exceptional in this respect as other dopants modify the dispersion, which compromises thermoelectricity. Moreover, we demonstrate that only after Tl-doping strain becomes an efficient tool for enhancing the thermoelectric performance. A high figure of merit of 0.86 is obtained for strong p-doping (7 × 10^20 cm^(−3), maximal power factor) at 500 K under 2% tensile strain.
dc.publisherAIP Publishing
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/apl/105/3/10.1063/1.4890858
dc.rightsArchived with thanks to Applied Physics Letters. © 2014 AIP Publishing LLC
dc.titleEnhanced thermoelectric figure of merit in strained Tl-doped Bi2Se3
dc.typeArticle
dc.contributor.departmentMaterials Science and Engineering Program
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.identifier.journalApplied Physics Letters
dc.eprint.versionPublisher's Version/PDF
kaust.personSaeed, Yasir
kaust.personSingh, Nirpendra
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2018-06-14T04:52:35Z


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