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dc.contributor.authorAlsaleh, Najebah Mohammed Abdullah
dc.contributor.authorSingh, Nirpendra
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2016-10-20T11:52:21Z
dc.date.available2016-10-20T11:52:21Z
dc.date.issued2016-09-26
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.
dc.identifier.issn2469-9950
dc.identifier.issn2469-9969
dc.identifier.doi10.1103/PhysRevB.94.125440
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.
dc.description.sponsorshipThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
dc.publisherAmerican Physical Society (APS)
dc.relation.urlhttp://journals.aps.org/prb/abstract/10.1103/PhysRevB.94.125440
dc.rightsArchived with thanks to Physical Review B Journal of American Physical Society
dc.titleRole of interlayer coupling for the power factor of CuSbS2 and CuSbSe2
dc.typeArticle
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.identifier.journalPhysical Review B
dc.eprint.versionPublisher's Version/PDF
kaust.personAlsaleh, Najebah Mohammed Abdullah
kaust.personSingh, Nirpendra
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2018-06-13T15:26:16Z


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