Novel room-temperature full-Heusler thermoelectric material Li2TlSb

We proposed Li 2 TlSb, a novel Li-based FH compound, by isoelectronically replacing Li with Tl in Li 3 Sb. Using SCP and HA theories, we computed its transport properties and found an ultra-low lattice thermal conductivity of 0.79 W m −1 K −1 at ambient conditions under SCP theory.