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s function method

Titles function method
Publication TypeJournal Article
Year of Publication2015
AuthorsKe, LQ, van Schilfgaarde, M
JournalPhysical Review B
Volume92
Pagination014423
Date Published07
Type of ArticleArticle
ISBN Number1098-0121
Accession NumberWOS:000358599600001
Keywordselectronic-structure, fe, films, magnetocrystalline anisotropy, metals, monolayers, origin, single-molecule magnets
Abstract

ten competing terms. The nitridometalates Li-2[(Li1-xTx)N], with T = Mn, Fe, Co, Ni, provide a system where the model is very effective because atomiclike orbital characters are preserved and the decomposition is fairly clean. Model results are also compared against MAE evaluated directly from first-principles calculations for this system. Good qualitative agreement is found.

DOI10.1103/PhysRevB.92.014423
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Bonded Magnets