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Anomalous enhancement of the thermoelectric figure of merit by V co-doping of Nb-SrTiO3
Author(s) -
K. Özdoğan,
Mousumi Upadhyay Kahaly,
Husam N. Alshareef,
Udo Schwingenschlögl
Publication year - 2012
Publication title -
applied physics letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.182
H-Index - 442
eISSN - 1077-3118
pISSN - 0003-6951
DOI - 10.1063/1.4714541
Subject(s) - figure of merit , doping , condensed matter physics , thermoelectric effect , materials science , dopant , density functional theory , charge carrier density , optoelectronics , chemistry , physics , thermodynamics , computational chemistry
The effect of V co-doping of Nb-SrTiO3 is studied by full-potential density functional theory. We obtain a stronger increase of the carrier density for V than for Nbdopants. While in Nb-SrTiO3 a high carrier density counteracts a high thermoelectric figure of merit, the trend is inverted by V co-doping. The mechanism leading to this behavior is explained in terms of a local spin-polarization introduced by the V ions. Our results indicate that magnetic co-doping can be a prominent tool for improving the thermoelectric figure of merit

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