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Article
Polytypism and Unique Site Preference in LiZnSb: A Superior Thermoelectric Reveals Its True Colors
Journal of the American Chemical Society
  • Miles A. White, Iowa State University
  • Gordon J. Miller, Iowa State University
  • Javier Vela, Iowa State University
Document Type
Article
Publication Version
Published Version
Publication Date
10-21-2016
DOI
10.1021/jacs.6b10054
Abstract
The first example of polytypism in the I–II–V semiconductors has been demonstrated with the synthesis of cubic LiZnSb by a low-temperature solution-phase method. This phase exhibits a unique coloring pattern that is novel for this class of compounds. The choice of site configuration has a considerable impact on the band structure of these materials, which in turn affects the transport properties. While the hexagonal polytype has been suggested as a promising n-type and extremely poor p-type thermoelectric material, the cubic analogue is calculated to have high efficiencies for both the n- and p-type derivatives (1.64 and 1.43, respectively, at 600 K). Furthermore, the cubic phase is found to be the energetically favored polytype. This surprising result provides a rationale for the lack of success in synthesizing the hexagonal polytype in either stoichiometric or n-type compositions.
Comments

Reprinted with permission from Journal of the American Chemical Society 138 (2016): 14574, doi:10.1021/jacs.6b10054. Copyright 2016 American Chemical Society.

Copyright Owner
American Chemical Society
Language
en
Citation Information
Miles A. White, Gordon J. Miller and Javier Vela. "Polytypism and Unique Site Preference in LiZnSb: A Superior Thermoelectric Reveals Its True Colors" Journal of the American Chemical Society Vol. 138 (2016) p. 14574 - 14577
Available at: http://works.bepress.com/gordon-miller/121/