Thermoelectric properties of chalcopyrite type CuGaTe2 and chalcostibite CuSbS2
作者： Vijay Kumar Gudelli , V. Kanchana , G. Vaitheeswaran , A. Svane , N. E. Christensen
DOI: 10.1063/1.4842095
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摘要: Electronic and transport properties of CuGaTe2, a hole-doped ternary copper based chalcopyrite type semiconductor, are studied using calculations within the Density Functional Theory and solving the Boltzmann transport equation within the constant relaxation time approximation. The electronic band structures are calculated by means of the full-potential linear augmented plane wave method, using the Tran-Blaha modified Becke-Johnson potential. The calculated band gap of 1.23 eV is in agreement with the …
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