By considering all the effects mentioned above on the transport properties, we have attained the highest thermoelectric ZT value (1.07 ± 0.1) of the sample Cu 1− xGaSb xTe 2 ( x = 0.02) at 721 K, which shows promise for application in the intermediate temperatures. Julie Baldwin, University of Montana Dexter Perkins, University of North Dakota and Dave Mogk, Montana State University What is it THERMOCALC is thermodynamic calculation software for tackling. We have thus determined the mechanism, proposing that the dual effect on the κ L resulted from the extra lattice mismatch and crystal structure distortion. The attempted addition of Sb causes a decrease in the lattice thermal conductivity ( κ L), but as the Sb content increases there is a limited enhancement of κ L. The electrical conductivity ( σ) is hardly related to Sb content when x < 0.1, due to the subtle change in the concentration n and mobility μ at the degenerate state of holes. Such a dominant occupation increases the density of states (DOS) at the Fermi level and the effective mass of the valence band, and thereby results in an increase in the Seebeck coefficient. Through calculating the band structures of the defect chalcopyrite semiconductor Cu 1− xGaSb xTe 2 with the proper addition of Sb to CuGaTe 2, we have demonstrated that Sb actually mostly occupies the Te rather than Cu lattice sites.

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