Compensated thermal conductivity of metallically conductive Ta-doped TiO2

Abstract

Electrical and thermal conductivities of epitaxial, high-quality Ta-doped TiO2 (Ta: TiO2) thin films were experimentally investigated in the temperature range of 35-375 K. Structurally identified as the anatase phase, degenerate Ta doping leads to high electrical conductivity in TiO2, reaching > 10(5) (Omega-m)(-1) at 5 at. % of Ta, making it a potential candidate for indium-free transparent conducting oxides. In stark contrast, Ta doping suppresses the thermal conductivity of TiO2 via strong phonon-impurity scattering imposed by the Ta dopant which has a high mass contrast with Ti that it substitutes. For instance, the near-peak value shows a > 50% reduction, from 9.0 down to 4.4 W/m-K, at just 2 at. % doping at 100 K. Interestingly, further Ta doping beyond 2 at. % no longer reduces the measured total thermal conductivity, which is attributed to a high electronic contribution to thermal conduction that compensates the alloy-scattering loss, as well as possibly the renormalization of phonon dispersion relation in the heavy doping regime originating from dopinginduced lattice stiffening. As a result, at high Ta doping, TiO2 exhibits high electrical conductivity without much degradation of thermal conductivity. For example, near room temperature, 5 at. % Ta doped TiO2 shows over 3 orders of magnitude enhancement in electrical conductivity from undoped TiO2, but with only less than 10% reduction in thermal conductivity. The metallic Ta: TiO2 maintaining reasonable good thermal conductivity might find application in energy devices where good conduction to both charge and heat is needed.