A Promising Thermoelectric Material:  Zn4Sb3 or Zn6 - δSb5. Its Composition, Structure, Stability, and Polymorphs. Structure and Stability of Zn1 - δSb

Composition, crystal structure, and stability of the thermoelectric material, known in the literature as “Zn4Sb3”, has been characterized using low- and room-temperature single-crystal X-ray diffraction techniques, as well as in situ room- and high-temperature powder X-ray diffraction methods. We ha...

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Veröffentlicht in:Chemistry of materials 2004-04, Vol.16 (8), p.1580-1589
Hauptverfasser: Mozharivskyj, Yurij, Pecharsky, Alexandra O, Bud'ko, Sergey, Miller, Gordon J
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creator Mozharivskyj, Yurij
Pecharsky, Alexandra O
Bud'ko, Sergey
Miller, Gordon J
description Composition, crystal structure, and stability of the thermoelectric material, known in the literature as “Zn4Sb3”, has been characterized using low- and room-temperature single-crystal X-ray diffraction techniques, as well as in situ room- and high-temperature powder X-ray diffraction methods. We have found that the Zn4Sb3 phase does not exist below 767 K (the β−γ transition temperature); it is the Zn6 - δSb5 phase that is erroneously assigned the Zn4Sb3 composition and is considered to be a promising thermoelectric material. The structure of Zn6 - δSb5 is similar to that of “Zn4Sb3” but no Zn/Sb mixture is observed on any Sb site. Instead, a significant deficiency on the Zn site is discovered. There are two, not one, as previously reported, Zn6 - δSb5 polymorphs below room temperature. In dynamic vacuum and at elevated temperatures the Zn6 - δSb5 phase becomes zinc poorer due to zinc sublimation and eventually decomposes into ZnSb and Zn before reaching its melting temperature of 841 K. The binary Zn1 - δSb compound also loses zinc in dynamic vacuum and at high temperatures and decomposes into Sb and Zn. The structure of Zn1 - δSb (CdSb-type) is analyzed using powder X-ray diffraction techniques.
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subjects Applied sciences
Chemistry
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
General and physical chemistry
Physicochemistry of polymers
Physics
title A Promising Thermoelectric Material:  Zn4Sb3 or Zn6 - δSb5. Its Composition, Structure, Stability, and Polymorphs. Structure and Stability of Zn1 - δSb
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