Ab initio calculations and measurements of thermoelectric properties of V2O5 films

Yu Chumakov, S. Y. Xiong, J. R. Santos, I. Ferreira, K. Termentzidis, A. Pokropivny, P. Cortona, S. Volz

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

Density functional theory and the Boltzmann transport equation were used to calculate the thermoelectric transport coefficients for bulk V 2O5 and MV2O5 (M = Cr, Ti, Na, Li). The structural relaxation for the given compounds based on the ABINIT code was observed. The temperature dependences of the Seebeck coefficients as well as electrical and thermal electrical conductivities of all relaxed structures displayed anisotropic behavior. Electrooptical measurements of thermoelectric properties were carried out on V2O5 thin films obtained by thermal evaporation with different post-annealing treatments. A Seebeck coefficient of -148 μV/K at T = 300 K was obtained in the in-plane direction for V2O5 thin films with thickness less than 100 nm.

Original languageEnglish
Pages (from-to)1597-1603
Number of pages7
JournalJournal of electronic materials
Volume42
Issue number7
DOIs
Publication statusPublished - 1 Jul 2013

Keywords

  • Boltzmann transport equation
  • density functional theory
  • thermoelectric properties
  • VO thin films

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