LaBiTe3: An unusual thermoelectric material

Handle URI:
http://hdl.handle.net/10754/563604
Title:
LaBiTe3: An unusual thermoelectric material
Authors:
Singh, Nirpendra ( 0000-0001-8043-0403 ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
Using first-principles calculations and semi-classical Boltzmann transport theory, the thermoelectric properties of LaBiTe3 are studied. The band gap and, hence, the thermoelectric response are found to be easily tailored by application of strain. Independent of the temperature, the figure of merit turns out to be maximal at a doping of about 1.6 × 1021 cm-3. At room temperature we obtain values of 0.4 and 0.5 for unstrained and moderately strained LaBiTe3, which increases to 1.1 and 1.3 at 800 K. A large spin splitting is observed in the conduction band at the T point. Therefore, LaBiTe3 merges characteristics that are interesting for thermoelectric as well as spintronic devices.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
Wiley-Blackwell
Journal:
physica status solidi (RRL) - Rapid Research Letters
Issue Date:
18-Jun-2014
DOI:
10.1002/pssr.201409110
Type:
Article
ISSN:
18626254
Sponsors:
We thank KAUST research computing for providing the computational resources for this study. N.S. acknowledges SABIC for financial support. Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorSingh, Nirpendraen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-03T11:55:29Zen
dc.date.available2015-08-03T11:55:29Zen
dc.date.issued2014-06-18en
dc.identifier.issn18626254en
dc.identifier.doi10.1002/pssr.201409110en
dc.identifier.urihttp://hdl.handle.net/10754/563604en
dc.description.abstractUsing first-principles calculations and semi-classical Boltzmann transport theory, the thermoelectric properties of LaBiTe3 are studied. The band gap and, hence, the thermoelectric response are found to be easily tailored by application of strain. Independent of the temperature, the figure of merit turns out to be maximal at a doping of about 1.6 × 1021 cm-3. At room temperature we obtain values of 0.4 and 0.5 for unstrained and moderately strained LaBiTe3, which increases to 1.1 and 1.3 at 800 K. A large spin splitting is observed in the conduction band at the T point. Therefore, LaBiTe3 merges characteristics that are interesting for thermoelectric as well as spintronic devices.en
dc.description.sponsorshipWe thank KAUST research computing for providing the computational resources for this study. N.S. acknowledges SABIC for financial support. Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).en
dc.publisherWiley-Blackwellen
dc.subjectBi2Te3en
dc.subjectThermoelectricsen
dc.titleLaBiTe3: An unusual thermoelectric materialen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalphysica status solidi (RRL) - Rapid Research Lettersen
kaust.authorSingh, Nirpendraen
kaust.authorSchwingenschlögl, Udoen
All Items in KAUST are protected by copyright, with all rights reserved, unless otherwise indicated.