Abstract
We present ab-initio calculations of the phonon thermal transport properties of topological insulator TlBiSe2. Our results point to a very low lattice thermal conductivity, comparable or lower than those of some popular good thermoelectric materials. Furthermore, we find a slight thermal anisotropy between the in-plane and cross-plane directions in TlBiSe2, markedly smaller than those of van-der-Waals topological insulators explored so far. These conclusions are confirmed and explained by comprehensive analysis of the phonon spectrum of TlBiSe2. The combination of ultralow lattice thermal conductivity and small anisotropy makes TlBiSe2 a promising candidate for thermoelectric applications.
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