Atomic structure and magnetic properties of Fe1-xCox alloys

TitleAtomic structure and magnetic properties of Fe1-xCox alloys
Publication TypeJournal Article
Year of Publication2012
AuthorsNguyen MC, Zhao X, Ji M, Wang CZ, Harmon B, Ho KM
Journal TitleJournal of Applied Physics
Date Published04
Type of ArticleArticle
ISBN Number0021-8979
Accession NumberWOS:000303282401301
Keywordsaugmented-wave method, co, electronic-structure, FeCo alloys

Using genetic algorithm with first-principle calculations, we searched for low-energy crystal structures of Fe1-xCox alloys. We found that Fe1-xCox alloys are highly configurationally degenerate with many additional off-stoichiometric stable structures to the well-known B-2 structure. The average magnetic moment of Fe atom increases with concentration of Co in the alloy, while that of Co atom is almost constant, which are consistent with experiments and earlier studies. The magnetic moment of Fe atom is strongly dependent on the number of Co nearest neighbor and it increases with this number. (C) 2012 American Institute of Physics. [doi:10.1063/1.3677929]

URL<Go to ISI>://WOS:000303282401301
Alternate JournalJ. Appl. Phys.