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Spin-exchange interaction between transition metals and metalloids in soft-ferromagnetic metallic glasses

Authors
Das, SantanuChoudhary, KamalChernatynskiy, AleksandrYim, Haein ChoiBandyopadhyay, Asis K.Mukherjee, Sundeep
Issue Date
May-2016
Publisher
IOP PUBLISHING LTD
Keywords
metallic glass; spin-exchange interactions; magnetic properties; ab initio molecular dynamics; charge density
Citation
JOURNAL OF PHYSICS-CONDENSED MATTER, v.28, no.21
Journal Title
JOURNAL OF PHYSICS-CONDENSED MATTER
Volume
28
Number
21
URI
https://scholarworks.sookmyung.ac.kr/handle/2020.sw.sookmyung/9764
DOI
10.1088/0953-8984/28/21/216003
ISSN
0953-8984
Abstract
High-performance magnetic materials have immense industrial and scientific importance in wide-ranging electronic, electromechanical, and medical device technologies. Metallic glasses with a fully amorphous structure are particularly suited for advanced soft-magnetic applications. However, fundamental scientific understanding is lacking for the spin-exchange interaction between metal and metalloid atoms, which typically constitute a metallic glass. Using an integrated experimental and molecular dynamics approach, we demonstrate the mechanism of electron interaction between transition metals and metalloids. Spin-exchange interactions were investigated for a Fe-Co metallic glass system of composition [(Co1-xFex)(0.75)B0.2Si0.05](96)Cr-4. The saturation magnetization increased with higher Fe concentration, but the trend significantly deviated from simple rule of mixtures. Ab initio molecular dynamics simulation was used to identify the ferromagnetic/anti-ferromagnetic interaction between the transition metals and metalloids. The overlapping band-structure and density of states represent 'Stoner type' magnetization for the amorphous alloys in contrast to 'Heisenberg type' in crystalline iron. The enhancement of magnetization by increasing iron was attributed to the interaction between Fe 3d and B 2p bands, which was further validated by valence-band study.
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