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

Handle URI:
http://hdl.handle.net/10754/623369
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
Conference/Event name:
Winter Enrichment Program 2017 - Poster Competition
Issue Date:
8-Jan-2017
Type:
Poster
Appears in Collections:
Posters; Winter Enrichment Program 2017

Full metadata record

DC FieldValue Language
dc.contributor.authorAlsaleh, Najebah Mohammed Abdullahen
dc.contributor.authorSingh, Nirpendraen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2017-05-07T05:47:59Z-
dc.date.available2017-05-07T05:47:59Z-
dc.date.issued2017-01-08-
dc.identifier.urihttp://hdl.handle.net/10754/623369-
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.titleRole of interlayer coupling for the power factor of CuSbS2 and CuSbSe2en
dc.typePosteren
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.conference.dateJanuary 8-21 2017en
dc.conference.nameWinter Enrichment Program 2017 - Poster Competitionen
dc.conference.locationKAUSTen
kaust.authorAlsaleh, Najebah Mohammed Abdullahen
kaust.authorSingh, Nirpendraen
kaust.authorSchwingenschlögl, Udoen
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