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Au19M (M=Cr, Mn, and Fe) as magnetic copies of the golden pyramid

By Nguyen Minh Tam, Ngo Tuan Cuong, Hung Tan Pham and Nguyen Thanh Tung

Abstract

Abstract An investigation on structure, stability, and magnetic properties of singly doped Au19M (M=Cr, Mn, and Fe) clusters is carried out by means of density functional theory calculations. The studied clusters prefer forming magnetic versions of the unique tetrahedral Au20. Stable sextet Au19Cr is identified as the least reactive species and can be qualified as a magnetic superatom. Analysis on cluster electronic structures shows that the competition between localized and delocalized electronic states governs the stability and magnetic properties of Au19M clusters

Topics: Medicine, R, Science, Q
Publisher: Nature Publishing Group
Year: 2017
DOI identifier: 10.1038/s41598-017-16412-3
OAI identifier: oai:doaj.org/article:501a23d143d744f9aab0e780cf6a8c9e
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