Campus Units

Chemistry, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

10-21-2016

Journal or Book Title

Journal of the American Chemical Society

Volume

138

First Page

14574

Last Page

14577

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

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