Show simple item record

dc.contributor.authorSaeed, Yasir
dc.contributor.authorSchwingenschlögl, Udo
dc.contributor.authorSingh, Nirpendra
dc.date.accessioned2014-03-23T08:17:15Z
dc.date.available2014-03-23T08:17:15Z
dc.date.issued2014-01-23
dc.identifier.citationSaeed Y, Singh N, Schwingenschlögl U (2014) Thickness and strain effects on the thermoelectric transport in nanostructured Bi2Se3. Appl Phys Lett 104: 033105. doi:10.1063/1.4862923.
dc.identifier.issn0003-6951
dc.identifier.issn1077-3118
dc.identifier.doi10.1063/1.4862923
dc.identifier.urihttp://hdl.handle.net/10754/314507
dc.description.abstractThe structural stability, electronic structure, and thermal transport properties of one to six quintuple layers (QLs) of Bi2Se3 are investigated by van der Waals density functional theory and semi-classical Boltzmann theory. The bandgap amounts to 0.41 eV for a single QL and reduces to 0.23 eV when the number of QLs increases to six. A single QL has a significantly higher thermoelectric figure of merit (0.27) than the bulk material (0.10), which can be further enhanced to 0.30 by introducing 2.5% compressive strain. Positive phonon frequencies under strain indicate that the structural stability is maintained.
dc.language.isoen
dc.publisherAIP Publishing
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/apl/104/3/10.1063/1.4862923
dc.relation.urlhttp://arxiv.org/abs/1402.4255
dc.rightsArchived with thanks to Applied Physics Letters
dc.titleThickness and strain effects on the thermoelectric transport in nanostructured Bi2Se3
dc.typeArticle
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.identifier.journalApplied Physics Letters
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionDepartment of Materials, Imperial College London, London SW7 2AZ, United Kingdom
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
dc.identifier.arxividarXiv:1402.4255
kaust.personSaeed, Yasir
kaust.personSingh, Nirpendra
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2018-06-14T04:00:54Z


Files in this item

Thumbnail
Name:
Thickness and strain effects on the thermoelectric transport in nanostructured Bi2Se3.pdf
Size:
1.534Mb
Format:
PDF

This item appears in the following Collection(s)

Show simple item record