Abstract
Intrinsic partial occupation of Cu induces strong phonon scattering for an extremely low lattice thermal conductivity in TmCuTe2, which leads this material to be a promising candidate for thermoelectric applications. This work focus on the electronic and phononic transport properties of TmCuTe2 with Ag-alloying on the Cu site. Such a Ag/Cu substitution is found to enable a decrease in Hall carrier concentration from 14 × 1019 to 8 × 1019 cm−3 for an evaluation of the charge transport based on a single parabolic band (SPB) model with acoustic scattering. In addition, Ag-substitution simultaneously introduces Cu/Ag point defects for extra phonon scattering, leading the lattice thermal conductivity to be as low as ∼0.25 W/m-K in a broad temperature. The optimization in carrier concentration and the reduction in lattice thermal conductivity contribute to a ∼40% improvement in average thermoelectric figure of merit (zT). The determination of band parameters enables a guidance for further advancements in this promising thermoelectric material.
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