Improvement of thermoelectric properties and their correlations with electron effective mass in Cu_1.98S_xSe_1-x.

ABSTRACT: Sulphur doping effects on the crystal structures, thermoelectric properties, density-of-states, and effective mass in Cu_1.98S_xSe_1-x were studied based on the electrical and thermal transport property measurements, and first-principles calculations. The X-ray diffraction patterns and Rietveld refinements indicate that room temperature Cu_1.98S_xSe_1-x (x = 0, 0.02, 0.08, 0.16) and Cu_1.98S_xSe_1-x (x = 0.8, 0.9, 1.0) have the same crystal structure as monoclinic-Cu₂Se and orthorhombic-Cu₂S, respectively. Sulphur doping can greatly enhance zT values when x is in the range of 0.8≤ × ≤1.0. Furthermore, all doped samples show stable thermoelectric compatibility factors over a broad

SUBMITTER: Zhao L 

PROVIDER: S-EPMC5238374 | biostudies-literature | 2017 Jan

REPOSITORIES: biostudies-literature