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Article: Thermoelectric properties of Bi 2 Te 3 atomic quintuple thin films

TitleThermoelectric properties of Bi 2 Te 3 atomic quintuple thin films
Authors
KeywordsElectronic Structure
Tellurium Compounds
Thermoelectric Equipment
Thin Films
Issue Date2010
PublisherAmerican Institute of Physics. The Journal's web site is located at http://apl.aip.org/
Citation
Applied Physics Letters, 2010, v. 97 n. 21 How to Cite?
AbstractMotivated by recent experimental realizations of quintuple atomic layer films of Bi 2 Te 3, the thermoelectric figure of merit ZT of the quintuple layer is calculated and found to increase by a factor of 10 (ZT=7.15) compared to that of the bulk at room-temperature. The large enhancement in ZT results from the change in the distribution of the valence band density of modes brought about by the quantum confinement in the thin film. The theoretical model uses ab initio electronic structure calculations (VASP) with full quantum-mechanical structure relaxation combined with a Landauer formalism for the linear-response transport coefficients. © 2010 American Institute of Physics.
Persistent Identifierhttp://hdl.handle.net/10722/132519
ISSN
2015 Impact Factor: 3.142
2015 SCImago Journal Rankings: 1.105
ISI Accession Number ID
Funding AgencyGrant Number
Microelectronics Advanced Research Corporation Focus Center on Nano Materials (FENA)
Funding Information:

This work was supported by the Microelectronics Advanced Research Corporation Focus Center on Nano Materials (FENA). F.Z. would like to thank Professor Hong Guo and RQCHP for providing the computational resources.

References

 

DC FieldValueLanguage
dc.contributor.authorZahid, Fen_HK
dc.contributor.authorLake, Ren_HK
dc.date.accessioned2011-03-28T09:25:47Z-
dc.date.available2011-03-28T09:25:47Z-
dc.date.issued2010en_HK
dc.identifier.citationApplied Physics Letters, 2010, v. 97 n. 21en_HK
dc.identifier.issn0003-6951en_HK
dc.identifier.urihttp://hdl.handle.net/10722/132519-
dc.description.abstractMotivated by recent experimental realizations of quintuple atomic layer films of Bi 2 Te 3, the thermoelectric figure of merit ZT of the quintuple layer is calculated and found to increase by a factor of 10 (ZT=7.15) compared to that of the bulk at room-temperature. The large enhancement in ZT results from the change in the distribution of the valence band density of modes brought about by the quantum confinement in the thin film. The theoretical model uses ab initio electronic structure calculations (VASP) with full quantum-mechanical structure relaxation combined with a Landauer formalism for the linear-response transport coefficients. © 2010 American Institute of Physics.en_HK
dc.languageengen_US
dc.publisherAmerican Institute of Physics. The Journal's web site is located at http://apl.aip.org/en_HK
dc.relation.ispartofApplied Physics Lettersen_HK
dc.subjectElectronic Structureen_US
dc.subjectTellurium Compoundsen_US
dc.subjectThermoelectric Equipmenten_US
dc.subjectThin Filmsen_US
dc.titleThermoelectric properties of Bi 2 Te 3 atomic quintuple thin filmsen_HK
dc.typeArticleen_HK
dc.identifier.emailZahid, F: fzahid@hku.hken_HK
dc.identifier.authorityZahid, F=rp01472en_HK
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1063/1.3518078en_HK
dc.identifier.scopuseid_2-s2.0-78649584902en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-78649584902&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume97en_HK
dc.identifier.issue21en_HK
dc.identifier.eissn1077-3118-
dc.identifier.isiWOS:000284618300023-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridZahid, F=8568996000en_HK
dc.identifier.scopusauthoridLake, R=7102860762en_HK
dc.identifier.citeulike9134792-

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