Structural tuning for enhanced magnetic performance by Y substitution in FeB-based metallic glasses

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

3 Scopus Citations
View graph of relations



Original languageEnglish
Article number104002
Journal / PublicationJournal of Physics Condensed Matter
Issue number10
Online published21 Dec 2020
Publication statusPublished - 3 Mar 2021


Despite the compositional analogue to Fe71B17(NbYZr)12 metallic glass, the Fe71B17Y12 metallic glass has a saturated magnetization of Ca 108 emu g−1, more than 5 times of that in Fe71B17(NbYZr)12 (20 emu g−1). The structural origin for such significant difference in magnetic performance was investigated by x-ray absorption fine structure spectra and ab initio molecular dynamics (AIMD) simulations including simulated pair-correlation function (PCF) and Voronoi tessellation. Based on the Heisenberg model of magnetism, the narrow distribution of Fe–Fe bonds with larger distances accounts for a large Fe moment of 2.0 μB in Fe71B17Y12, while the broad distribution of Fe–Fe bonds leads to ferrimagnetic couplings which result in the small net Fe moment of 0.45 μB in Fe71B17(NbYZr)12. This work emphasizes how the substitution of analogous 4d transition metals induces a significantly different magnetism, which sheds lights on the development of new magnetic metallic glasses with both a promising magnetic performance and larger glass forming ability.

Research Area(s)

  • 4d transition metal, Ab initio molecular dynamics (AIMD), Atomic local structure, Magnetic metallic glass, Magnetism