Structural and Magnetic Study of Fe76Si9B10P5 Metallic Glass by First Principle Simulation

Yaocen Wang, Yan Zhang, Akihiro Makino, Yunye Liang, Yoshiyuki Kawazoe

研究成果: Article査読

4 被引用数 (Scopus)


Fe76Si9B10P5 metallic glass is an excellent material for its good glass-forming ability and soft magnetic property. However, a large gap still exists toward a better theoretical understanding, which explains their excellent properties that have been experimentally observed. In this paper, we perform molecular dynamics simulation to study the atomic scale structure and clarify the origin for the good magnetic property. The results suggest that the glassy alloy consists of B/P centered dense spaces and sparsely spread Si-rich regions. Fe atoms in the dense area are positively charged and possess larger magnetic moment up to 2.6 μB , which is larger than that in pure α-Fe. The negatively charged B and P atoms were possible reasons for the charge transfer and enhancement of magnetic moment.

ジャーナルIEEE Transactions on Magnetics
出版ステータスPublished - 2014 4 1

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Electrical and Electronic Engineering

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