Role of interlayer coupling for the power factor of CuSbS2 and CuSbSe2

Handle URI:
http://hdl.handle.net/10754/621098
Title:
Role of interlayer coupling for the power factor of CuSbS2 and CuSbSe2
Authors:
Alsaleh, Najebah Mohammed Abdullah; Singh, Nirpendra ( 0000-0001-8043-0403 ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
The electronic and transport properties of bulk and monolayer CuSbS2 and CuSbSe2 are determined by using density functional theory and semiclassical Boltzmann transport theory, in order to investigate the role of interlayer coupling for the thermoelectric properties. The calculated band gaps of the bulk compounds are in agreement with experiments and significantly higher than those of the monolayers, which thus show lower Seebeck coefficients. Since also the electrical conductivity is lower, the monolayers are characterized by lower power factors. Therefore, interlayer coupling is found to be essential for the excellent thermoelectric response of CuSbS2 and CuSbSe2, even though it is weak.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Citation:
Alsaleh NM, Singh N, Schwingenschlögl U (2016) Role of interlayer coupling for the power factor ofCuSbS2andCuSbSe2. Physical Review B 94. Available: http://dx.doi.org/10.1103/PhysRevB.94.125440.
Publisher:
American Physical Society (APS)
Journal:
Physical Review B
Issue Date:
26-Sep-2016
DOI:
10.1103/PhysRevB.94.125440
Type:
Article
ISSN:
2469-9950; 2469-9969
Sponsors:
The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
Additional Links:
http://journals.aps.org/prb/abstract/10.1103/PhysRevB.94.125440
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorAlsaleh, Najebah Mohammed Abdullahen
dc.contributor.authorSingh, Nirpendraen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2016-10-20T11:52:21Z-
dc.date.available2016-10-20T11:52:21Z-
dc.date.issued2016-09-26en
dc.identifier.citationAlsaleh NM, Singh N, Schwingenschlögl U (2016) Role of interlayer coupling for the power factor ofCuSbS2andCuSbSe2. Physical Review B 94. Available: http://dx.doi.org/10.1103/PhysRevB.94.125440.en
dc.identifier.issn2469-9950en
dc.identifier.issn2469-9969en
dc.identifier.doi10.1103/PhysRevB.94.125440en
dc.identifier.urihttp://hdl.handle.net/10754/621098-
dc.description.abstractThe electronic and transport properties of bulk and monolayer CuSbS2 and CuSbSe2 are determined by using density functional theory and semiclassical Boltzmann transport theory, in order to investigate the role of interlayer coupling for the thermoelectric properties. The calculated band gaps of the bulk compounds are in agreement with experiments and significantly higher than those of the monolayers, which thus show lower Seebeck coefficients. Since also the electrical conductivity is lower, the monolayers are characterized by lower power factors. Therefore, interlayer coupling is found to be essential for the excellent thermoelectric response of CuSbS2 and CuSbSe2, even though it is weak.en
dc.description.sponsorshipThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).en
dc.publisherAmerican Physical Society (APS)en
dc.relation.urlhttp://journals.aps.org/prb/abstract/10.1103/PhysRevB.94.125440en
dc.rightsArchived with thanks to Physical Review B Journal of American Physical Societyen
dc.titleRole of interlayer coupling for the power factor of CuSbS2 and CuSbSe2en
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalPhysical Review Ben
dc.eprint.versionPublisher's Version/PDFen
kaust.authorAlsaleh, Najebah Mohammed Abdullahen
kaust.authorSingh, Nirpendraen
kaust.authorSchwingenschlögl, Udoen
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