The Zintl pnictides Yb10CdSb9 and Yb14CdSb11: New candidate thermoelectric materials

Ogunbunmi, Michael O.; Ghosh, Kowsik; Donnelly, Connor; Baranets, Sviatoslav; Bobev, Svilen

doi:10.1063/5.0244442

Title: The Zintl pnictides Yb10CdSb9 and Yb14CdSb11: New candidate thermoelectric materials

Journal Article · 19 February 2025 · Journal of Applied Physics

DOI: https://doi.org/10.1063/5.0244442 · OSTI ID:2520195

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; Donnelly, Connor;

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The synthesis of new materials is the lifeline of solid-state science, and it continues to offer us unique opportunities for testing various theoretical formulations and models on a practical material. Such an avenue, therefore, provides a breeding ground for technological innovations and advancements that can completely revolutionize our world. Here, we report the results of our exploratory syntheses in the Yb–Cd–Sb compositional space that lead to the identification of two new Zintl antimonides, namely, Yb10CdSb9 and Yb14CdSb11. Their crystal structures were established via single-crystal X-ray diffraction methods; the basic electronic and transport properties of the new materials were also characterized. Yb10CdSb9 crystallizes in a disordered variant of the tetragonal Ca10LiMgSb9 structure type with unit cell parameters a = 11.8473(8) Å and c = 17.1302(12) Å (space group P42/mnm). Yb14CdSb11 crystallizes in the tetragonal Ca14AlSb11 structure type with unit cell parameters: a = 16.605(3) Å and c = 12.144(7) Å (space group I41/acd). Although the structures of both compounds can be rationalized within the framework of the Zintl formalism, based on the partitioning of the valence electrons in the much disordered Yb10CdSb9 phase, the charge is indicative of a slightly electron-rich composition. Electronic structure calculations in both cases support the notion of intrinsic semiconductor behavior, as expected for a Zintl phase. The temperature dependence of the electrical resistivity of a single crystal of Yb10CdSb9 is in line with that, and the evolution of the Seebeck coefficient indicates an electron-dominated transport mechanism, and a respectable power factor of 0.71 μW/cm K2 at 460 K can be calculated for Yb10CdSb9. The electrical resistivity of Yb14CdSb11, however, evolves in a semimetallic manner, which could suggest an overdoped sample or degenerate semiconducting behavior.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0008885

OSTI ID:: 2520195

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 7 Vol. 137; ISSN 0021-8979

Publisher:: American Institute of PhysicsCopyright Statement

Country of Publication:: United States

Language:: English

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