Publications [#322626] of Stefano Curtarolo

Papers Published
  1. Pandey, SJ; Joshi, G; Wang, S; Curtarolo, S; Gaume, RM, Modeling the Thermoelectric Properties of Ti5O9 Magnéli Phase Ceramics, Journal of Electronic Materials, vol. 45 no. 11 (November, 2016), pp. 5526-5532 [doi] .

    Abstract:
    © 2016, The Minerals, Metals & Materials Society. Magnéli phase Ti 5 O 9 ceramics with 200-nm grain-size were fabricated by hot-pressing nanopowders of titanium and anatase TiO 2 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 t 2g 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.