Enhanced carrier density in Nb-doped SrTiO3 thermoelectrics

K. Ozdogan; M. Upadhyay Kahaly; S. R. Sarath Kumar; Husam N. Alshareef; Udo Schwingenschlögl

doi:10.1063/1.3692057

Enhanced carrier density in Nb-doped SrTiO3 thermoelectrics

K. Ozdogan, M. Upadhyay Kahaly, S. R. Sarath Kumar, Husam N. Alshareef, Udo Schwingenschlögl

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37 Scopus citations

Abstract

We study epitaxial SrTiO3 interfaced with Nb-doped SrTi1-x Nb x O3 (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.

Original language	English (US)
Pages (from-to)	054313
Journal	Journal of Applied Physics
Volume	111
Issue number	5
DOIs	https://doi.org/10.1063/1.3692057
State	Published - Mar 9 2012

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01

ASJC Scopus subject areas

General Physics and Astronomy

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10.1063/1.3692057

https://repository.kaust.edu.sa/bitstream/10754/552834/1/1.3692057.pdf

Cite this

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title = "Enhanced carrier density in Nb-doped SrTiO3 thermoelectrics",

abstract = "We study epitaxial SrTiO3 interfaced with Nb-doped SrTi1-x Nb x O3 (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.",

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T1 - Enhanced carrier density in Nb-doped SrTiO3 thermoelectrics

AU - Ozdogan, K.

AU - Upadhyay Kahaly, M.

AU - Sarath Kumar, S. R.

AU - Alshareef, Husam N.

AU - Schwingenschlögl, Udo

N1 - KAUST Repository Item: Exported on 2020-10-01

PY - 2012/3/9

Y1 - 2012/3/9

N2 - We study epitaxial SrTiO3 interfaced with Nb-doped SrTi1-x Nb x O3 (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.

AB - We study epitaxial SrTiO3 interfaced with Nb-doped SrTi1-x Nb x O3 (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.

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M3 - Article

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JO - Journal of Applied Physics

JF - Journal of Applied Physics

IS - 5

ER -

Enhanced carrier density in Nb-doped SrTiO3 thermoelectrics

Abstract

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