Enhanced thermoelectric figure of merit in strained Tl-doped Bi2Se3

dc.contributor.authorSaeed, Yasir
dc.contributor.authorSingh, Nirpendra
dc.contributor.authorSchwingenschlögl, Udo
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.date.accessioned2015-04-14T12:50:40Z
dc.date.available2015-04-14T12:50:40Z
dc.date.issued2014-07-21
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.eprint.versionPublisher's Version/PDF
dc.identifier.citationEnhanced thermoelectric figure of merit in strained Tl-doped Bi2Se3 2014, 105 (3):031915 Applied Physics Letters
dc.identifier.doi10.1063/1.4890858
dc.identifier.issn0003-6951
dc.identifier.issn1077-3118
dc.identifier.journalApplied Physics Letters
dc.identifier.urihttp://hdl.handle.net/10754/550088
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
display.details.left<span><h5>Type</h5>Article<br><br><h5>Authors</h5><a href="https://repository.kaust.edu.sa/search?query=orcid.id:0000-0003-3080-7385&spc.sf=dc.date.issued&spc.sd=DESC">Saeed, Yasir</a> <a href="https://orcid.org/0000-0003-3080-7385" target="_blank"><img src="https://repository.kaust.edu.sa/server/api/core/bitstreams/82a625b4-ed4b-40c8-865a-d6a5225a26a4/content" width="16" height="16"/></a><br><a href="https://repository.kaust.edu.sa/search?query=orcid.id:0000-0001-8043-0403&spc.sf=dc.date.issued&spc.sd=DESC">Singh, Nirpendra</a> <a href="https://orcid.org/0000-0001-8043-0403" target="_blank"><img src="https://repository.kaust.edu.sa/server/api/core/bitstreams/82a625b4-ed4b-40c8-865a-d6a5225a26a4/content" width="16" height="16"/></a><br><a href="https://repository.kaust.edu.sa/search?query=orcid.id:0000-0003-4179-7231&spc.sf=dc.date.issued&spc.sd=DESC">Schwingenschlögl, Udo</a> <a href="https://orcid.org/0000-0003-4179-7231" target="_blank"><img src="https://repository.kaust.edu.sa/server/api/core/bitstreams/82a625b4-ed4b-40c8-865a-d6a5225a26a4/content" width="16" height="16"/></a><br><br><h5>KAUST Department</h5><a href="https://repository.kaust.edu.sa/search?spc.sf=dc.date.issued&spc.sd=DESC&f.department=Computational Physics and Materials Science (CPMS),equals">Computational Physics and Materials Science (CPMS)</a><br><a href="https://repository.kaust.edu.sa/search?spc.sf=dc.date.issued&spc.sd=DESC&f.department=Material Science and Engineering Program,equals">Material Science and Engineering Program</a><br><a href="https://repository.kaust.edu.sa/search?spc.sf=dc.date.issued&spc.sd=DESC&f.department=Physical Science and Engineering (PSE) Division,equals">Physical Science and Engineering (PSE) Division</a><br><br><h5>Date</h5>2014-07-21</span>
display.details.right<span><h5>Abstract</h5>We 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.<br><br><h5>Citation</h5>Enhanced thermoelectric figure of merit in strained Tl-doped Bi2Se3 2014, 105 (3):031915 Applied Physics Letters<br><br><h5>Publisher</h5><a href="https://repository.kaust.edu.sa/search?spc.sf=dc.date.issued&spc.sd=DESC&f.publisher=AIP Publishing,equals">AIP Publishing</a><br><br><h5>Journal</h5><a href="https://repository.kaust.edu.sa/search?spc.sf=dc.date.issued&spc.sd=DESC&f.journal=Applied Physics Letters,equals">Applied Physics Letters</a><br><br><h5>DOI</h5><a href="https://doi.org/10.1063/1.4890858">10.1063/1.4890858</a><br><br><h5>Additional Links</h5>http://scitation.aip.org/content/aip/journal/apl/105/3/10.1063/1.4890858</span>
kaust.personSaeed, Yasir
kaust.personSingh, Nirpendra
kaust.personSchwingenschlögl, Udo
orcid.authorSaeed, Yasir::0000-0003-3080-7385
orcid.authorSingh, Nirpendra::0000-0001-8043-0403
orcid.authorSchwingenschlögl, Udo::0000-0003-4179-7231
orcid.id0000-0003-4179-7231
orcid.id0000-0001-8043-0403
orcid.id0000-0003-3080-7385
refterms.dateFOA2018-06-14T04:52:35Z
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