Crystal structures and thermoelectric properties of the series Tl(10-x)La(x)Te6 with 0.2 ≤ x ≤ 1.15.

The tellurides Tl(10-x)La(x)Te(6) were synthesized from the elements in stoichiometric ratios at 873 K, followed by slow cooling. These materials are substitution variants of Tl(5)Te(3), crystallizing in space group I4/mcm, with lattice dimensions of a = 8.9220(4) Å, c = 13.156(1) Å, V = 1047.2(1) Å(3), for x = 1 (Z = 2). Increasing the La content occurs with an increase in the unit cell volume and the c axis, but a decrease of the a axis. Tl(5)Te(3) is a metallic compound, while Tl(9)LaTe(6) was calculated to be semiconducting. Correspondingly, the Seebeck coefficient increases with increasing x, while the electrical and thermal conductivity both decrease. The highest thermoelectric figure-of-merit determined thus far is 0.21 at 581 K for cold-pressed Tl(9)LaTe(6).