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Publication TypeJournal Article
Year of Publication2014
AuthorsSamal, SL, Pandey, A, Johnston, DC, Corbett, JD, Miller, GJ
JournalChemistry of Materials
Volume26
Pagination3209-3218
Date Published05
Type of ArticleArticle
ISBN Number0897-4756
Accession NumberWOS:000336637000025
Keywordsau, compound, phases, sodium, substitution, system, tunnels
Abstract

using the local spin density approximation indicate a similar to 1 eV splitting of the Mn 3d states with nearly filled majority spin states and partially filled minority spin states at the Fermi level resulting in approximately four unpaired electrons per Mn atom in the metallic ground state. The crystal orbital Hamilton population analyses demonstrate that similar to 94% of the total Hamilton populations originate from Au-Au and polar Mn-Au and Y-Au bonding.

DOI10.1021/cm500871c
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Innovative Materials

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Complex States