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Modeling the Thermoelectric Properties of Ti5O9 Magnéli Phase Ceramics

Publication ,  Journal Article
Pandey, SJ; Joshi, G; Wang, S; Curtarolo, S; Gaume, RM
Published in: Journal of Electronic Materials
November 1, 2016

Magnéli phase Ti5O9 ceramics with 200-nm grain-size were fabricated by hot-pressing nanopowders of titanium and anatase TiO2 at 1223 K. The thermoelectric properties of these ceramics were investigated from room temperature to 1076 K. We show that the experimental variation of the electrical conductivity with temperature follows a non-adiabatic small-polaron model with an activation energy of 64 meV. In this paper, we propose a modified Heikes-Chaikin-Beni model, based on a canonical ensemble of closely spaced titanium t2g levels, to account for the temperature dependency of the Seebeck coefficient. Modeling of the thermal conductivity data reveals that the phonon contribution remains constant throughout the investigated temperature range. The thermoelectric figure-of-merit ZT of this nanoceramic material reaches 0.3 K at 1076 K.

Duke Scholars

Published In

Journal of Electronic Materials

DOI

ISSN

0361-5235

Publication Date

November 1, 2016

Volume

45

Issue

11

Start / End Page

5526 / 5532

Related Subject Headings

  • Applied Physics
  • 51 Physical sciences
  • 40 Engineering
  • 34 Chemical sciences
  • 1099 Other Technology
  • 0906 Electrical and Electronic Engineering
  • 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics
 

Citation

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Pandey, S. J., Joshi, G., Wang, S., Curtarolo, S., & Gaume, R. M. (2016). Modeling the Thermoelectric Properties of Ti5O9 Magnéli Phase Ceramics. Journal of Electronic Materials, 45(11), 5526–5532. https://doi.org/10.1007/s11664-016-4762-4
Pandey, S. J., G. Joshi, S. Wang, S. Curtarolo, and R. M. Gaume. “Modeling the Thermoelectric Properties of Ti5O9 Magnéli Phase Ceramics.” Journal of Electronic Materials 45, no. 11 (November 1, 2016): 5526–32. https://doi.org/10.1007/s11664-016-4762-4.
Pandey SJ, Joshi G, Wang S, Curtarolo S, Gaume RM. Modeling the Thermoelectric Properties of Ti5O9 Magnéli Phase Ceramics. Journal of Electronic Materials. 2016 Nov 1;45(11):5526–32.
Pandey, S. J., et al. “Modeling the Thermoelectric Properties of Ti5O9 Magnéli Phase Ceramics.” Journal of Electronic Materials, vol. 45, no. 11, Nov. 2016, pp. 5526–32. Scopus, doi:10.1007/s11664-016-4762-4.
Pandey SJ, Joshi G, Wang S, Curtarolo S, Gaume RM. Modeling the Thermoelectric Properties of Ti5O9 Magnéli Phase Ceramics. Journal of Electronic Materials. 2016 Nov 1;45(11):5526–5532.
Journal cover image

Published In

Journal of Electronic Materials

DOI

ISSN

0361-5235

Publication Date

November 1, 2016

Volume

45

Issue

11

Start / End Page

5526 / 5532

Related Subject Headings

  • Applied Physics
  • 51 Physical sciences
  • 40 Engineering
  • 34 Chemical sciences
  • 1099 Other Technology
  • 0906 Electrical and Electronic Engineering
  • 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics