Thickness and strain effects on the thermoelectric transport in nanostructured Bi2Se3

Handle URI:
http://hdl.handle.net/10754/314507
Title:
Thickness and strain effects on the thermoelectric transport in nanostructured Bi2Se3
Authors:
Saeed, Yasir ( 0000-0003-3080-7385 ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 ) ; Singh, Nirpendra ( 0000-0001-8043-0403 )
Abstract:
The 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Saeed 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.
Publisher:
American Institute of Physics
Journal:
Applied Physics Letters
Issue Date:
23-Jan-2014
DOI:
10.1063/1.4862923
ARXIV:
arXiv:1402.4255
Type:
Article
ISSN:
0003-6951; 1077-3118
Additional Links:
http://scitation.aip.org/content/aip/journal/apl/104/3/10.1063/1.4862923; http://arxiv.org/abs/1402.4255
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorSaeed, Yasiren
dc.contributor.authorSchwingenschlögl, Udoen
dc.contributor.authorSingh, Nirpendraen
dc.date.accessioned2014-03-23T08:17:15Z-
dc.date.available2014-03-23T08:17:15Z-
dc.date.issued2014-01-23en
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.en
dc.identifier.issn0003-6951en
dc.identifier.issn1077-3118en
dc.identifier.doi10.1063/1.4862923en
dc.identifier.urihttp://hdl.handle.net/10754/314507en
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.en
dc.language.isoenen
dc.publisherAmerican Institute of Physicsen
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/apl/104/3/10.1063/1.4862923en
dc.relation.urlhttp://arxiv.org/abs/1402.4255en
dc.rightsArchived with thanks to Applied Physics Lettersen
dc.titleThickness and strain effects on the thermoelectric transport in nanostructured Bi2Se3en
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalApplied Physics Lettersen
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionDepartment of Materials, Imperial College London, London SW7 2AZ, United Kingdomen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
dc.identifier.arxividarXiv:1402.4255en
kaust.authorSaeed, Yasiren
kaust.authorSingh, Nirpendraen
kaust.authorSchwingenschlögl, Udoen
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