Synthesis, crystal structure, and transport properties of quaternary tetrahedral chalcogenides
作者： Yongkwan Dong , Lukasz Wojtas , Joshua Martin , George S. Nolas
DOI: 10.1039/C5TC01606A
关键词: Thermoelectric materials 、 Materials science 、 Rietveld refinement 、 Crystal structure 、 Stannite 、 Crystallography 、 Electronic band structure 、 Seebeck coefficient 、 Thermal conductivity 、 Electrical resistivity and conductivity
摘要: Quaternary chalcogenides with tetrahedral zinc-blend structure types continue to be of interest for thermoelectrics applications. We report on the synthesis, crystal structure, and high temperature transport properties Cu2.1Fe0.9SnSe4, Cu2.2Fe0.8SnSe4 Cu2.2Zn0.2Fe0.6SnSe4. The identity compositions each specimen were established using a combination Rietveld refinement elemental analysis indicate that all are homogeneous stannite structure. Excess Cu reduces electrical resistivity, ρ, by an order magnitude compared Cu2FeSnSe4 no significant degradation Seebeck coefficient, S. energy band gaps estimated from S values Cu2.1Fe0.9SnSe4 possess narrow gaps, 0.18 eV 0.25 eV, respectively, as most other quaternary chalcogenides. power factor (PF = S2/ρ) increases decreasing Fe content. Although possesses smaller PF than Cu2.2Zn0.2Fe0.6SnSe4, ZT 0.45 was obtained at 750 K due its low thermal conductivity.
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