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Enhanced carrier density in Nb-doped SrTiO3 thermoelectrics

dc.contributor.authorOzdogan, K.
dc.contributor.authorKahaly, M. Upadhyay
dc.contributor.authorKumar, S. R. Sarath
dc.contributor.authorAlshareef, H. N.
dc.contributor.authorSchwingenschlogl, U.
dc.date.accessioned2026-06-27T13:18:07Z
dc.date.issued2012
dc.description.abstractWe study epitaxial SrTiO3 interfaced with Nb-doped SrTi1-xNbxO3 (x=0, 0.125, 0.25, 0.375, and 0.5) by full-potential density functional theory. From the electronic band structures obtained by our ab-initio calculations we determine the dependence of the induced metallicity on the Nb concentration. We obtain a monotonous increase of the carrier density with the Nb concentration. The results are confirmed by experiments for SrTi0.88Nb0.12O3 and SrTi0.8Nb0.2O3, demonstrating the predictive power and limitations of our theoretical approach. We also show that the Seebeck coefficient decreases monotonously with increasing temperature. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3692057]en
dc.description.urihttps://doi.org/10.1063/1.3692057
dc.identifier.doi10.1063/1.3692057
dc.identifier.eissn1089-7550
dc.identifier.issn0021-8979
dc.identifier.issue5
dc.identifier.urihttps://hdl.handle.net/20.500.14981/51653
dc.identifier.volume111
dc.identifier.wos000301729200123
dc.language.isoeng
dc.publisherAIP Publishing
dc.relation.ispartofJOURNAL OF APPLIED PHYSICS
dc.subjectOPTICAL-PROPERTIES
dc.subjectBAND-STRUCTURE
dc.subjectPhysics
dc.titleEnhanced carrier density in Nb-doped SrTiO3 thermoelectrics
dc.typeArticle
dspace.entity.typePublication
local.import.sourceWOS

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