Single crystal growth and characterization of new Zintl phase Ca9Zn3.1In0.9Sb9
| Autor: | Mack Marshall, Sviatoslav Baranets, Megan Rylko, Alex Zevalkink, Svilen Bobev, Mario Calderón-Cueva, David M. Smiadak |
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| Rok vydání: | 2021 |
| Předmět: |
Materials science
02 engineering and technology Crystal structure Electronic structure 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics Thermoelectric materials 01 natural sciences 0104 chemical sciences Electronic Optical and Magnetic Materials Inorganic Chemistry Crystallography Zintl phase Electrical resistivity and conductivity Seebeck coefficient Materials Chemistry Ceramics and Composites Physical and Theoretical Chemistry 0210 nano-technology Valence electron Single crystal |
| Zdroj: | Journal of Solid State Chemistry. 296:121947 |
| ISSN: | 0022-4596 |
| DOI: | 10.1016/j.jssc.2020.121947 |
| Popis: | Complex Zintl phases have yielded a large variety of promising new thermoelectric materials. In this study we report the discovery of the new Zintl phase Ca9(Zn1–xInx)4Sb9 (x ~ 0.9), needle-like crystals of which were serendipitously obtained from an In- and Sb-rich flux. Although its composition is reminiscent of Ca9Zn4+xSb9, an excellent thermoelectric material with zT > 1, the substitution of In on the Zn site leads to the formation of an entirely new structure type. Single crystal X-ray diffraction revealed a structure characterized by TSb4 tetrahedra (T = statistically disordered Zn and In atoms) and ZnSb3 triangular units, which share common corners to form [T4Sb9]18− polyanions. The average structure was found to have hexagonal symmetry. The valence electron count in this heavily-disordered structure appears to follows the Zintl-Klemm rules, suggesting semiconducting behavior. Single crystal electrical conductivity and Seebeck coefficient measurements support this conclusion, suggesting that the as-grown crystals are degenerate p-type semiconductors. |
| Databáze: | OpenAIRE |
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