Crystal structure, electronic and transport properties of AgSbSe2 and AgSbTe2 |
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Authors: | K Wojciechowski J Tobola R Zybala |
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Institution: | a Faculty of Materials Science and Ceramics, AGH University of Science and Technology, Al. Mickiewicza 30, 30-059 Cracow, Poland b Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, Al. Mickiewicza 30, 30-059 Cracow, Poland |
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Abstract: | Undoped and p- and n-doped AgSbX2 (X=Se and Te) materials were synthesized by direct fusion technique. The structural properties were investigated by X-ray diffraction and SEM microscopy. The electrical conductivity, thermal conductivity and Seebeck coefficient have been measured as a function of temperature in the range from 300 to 600 K.To enlighten electron transport behaviours observed in AgSbSe2 and AgSbTe2 compounds, electronic structure calculations have been performed by the Korringa-Kohn-Rostoker method as well as KKR with coherent potential approximation (KKR-CPA) for ordered (hypothetical AgX and SbX as well as AgSbX2 approximates) and disordered systems (Ag1−xSbxX), respectively. The calculated density of states in the considered structural cases shows apparent tendencies to opening the energy gap near the Fermi level for the stoichiometric AgSbX2 compositions, but a small overlap between valence and conduction bands is still present. Such electronic structure behaviour well agrees with the semimetallic properties of the analyzed samples. |
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Keywords: | A Electronic materials A Semiconductors D Electronic structure D Electrical properties |
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