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Polytypism and Unique Site Preference in LiZnSb: A Superior Thermoelectric Reveals Its True Colors

TitlePolytypism and Unique Site Preference in LiZnSb: A Superior Thermoelectric Reveals Its True Colors
Publication TypeJournal Article
Year of Publication2016
AuthorsWhite, MA, Miller, GJ, Vela, J
JournalJournal of the American Chemical Society
Volume138
Pagination14574-14577
Date Published11
Type of ArticleArticle
ISBN Number0002-7863
Accession NumberWOS:000387625300014
Keywordschemistry, mgagas-type compounds, semiconductors
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.

DOI10.1021/jacs.6b10054
Custom 1

Not AL

Alternate JournalJ. Am. Chem. Soc.