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Packing of Russian doll clusters to form a nanometer-scale CsCl-type compound in a Cr-Zn-Sn complex metallic alloy

TitlePacking of Russian doll clusters to form a nanometer-scale CsCl-type compound in a Cr-Zn-Sn complex metallic alloy
Publication TypeJournal Article
Year of Publication2017
AuthorsXie, WW, Cava, RJ, Miller, GJ
JournalJournal of Materials Chemistry C
Volume5
Pagination7215-7221
Date Published08
Type of ArticleArticle
ISBN Number2050-7526
Accession NumberWOS:000406376000010
Keywordsal, density-functional calculations, icosahedra, Materials Science, nazn13 structure type, physical-properties, physics, quasi-crystal
Abstract

that form the resulting nanometer-scale CsCl-type structure. Evaluating the electronic structure of this complex alloy structure yielded an alternative description, involving a 3-d network of vertex-connected, Cr-centered icosahedra and fragments of bcc metals. This description closely parallels the effective chemical bonding interactions, allowing for an understanding of the stability of this CMA. Magnetic and Seebeck coefficient measurements on self-flux grown crystals of Cr22Zn72Sn24 show it to be paramagnetic and metallic, in agreement with the results of electronic structure calculations.

DOI10.1039/c7tc01967j
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