Permanent magnetism of intermetallic compounds between light and heavy transition-metal elements

P. Kumar, A. Kashyap, B. Balamurugan, J. E. Shield, D. J. Sellmyer, R. Skomski

Research output: Contribution to journalArticle

24 Citations (Scopus)

Abstract

First-principle calculations are used to investigate the intrinsic magnetic properties of intermetallic alloys of the type XM n , where X is a 4d or 5d element and M is Fe or Co. Emphasis is on the hexagonal C14 Laves-phase 1:2 and 1:5 alloys, the latter crystallizing in the CaCu 5 structure. These series are of interest in permanent magnetism from fundamental and practical viewpoints, respectively. In the former, the unit cells form a prototypical motif where a heavy atom with high spin-orbit coupling and magnetocrystalline anisotropy is surrounded by many somewhat smaller M atoms with high magnetization, and the latter are Laves-phase derivatives of renewed interest in permanent magnetism. Our DFT calculations predict magnetic moments, magnetizations and anisotropies, as well as formation energies. The results are analyzed across the 4d and 5d series, especially with respect to hybridization effects between 3d and 4d/5d bands.

Original languageEnglish (US)
Article number064209
JournalJournal of Physics Condensed Matter
Volume26
Issue number6
DOIs
StatePublished - Feb 12 2014

Fingerprint

Laves phases
Magnetism
heavy metals
Chemical elements
Heavy metals
Intermetallics
Transition metals
intermetallics
Magnetization
transition metals
Magnetocrystalline anisotropy
Atoms
magnetization
anisotropy
energy of formation
Magnetic moments
Discrete Fourier transforms
atoms
Magnetic properties
Orbits

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Permanent magnetism of intermetallic compounds between light and heavy transition-metal elements. / Kumar, P.; Kashyap, A.; Balamurugan, B.; Shield, J. E.; Sellmyer, D. J.; Skomski, R.

In: Journal of Physics Condensed Matter, Vol. 26, No. 6, 064209, 12.02.2014.

Research output: Contribution to journalArticle

Kumar, P. ; Kashyap, A. ; Balamurugan, B. ; Shield, J. E. ; Sellmyer, D. J. ; Skomski, R. / Permanent magnetism of intermetallic compounds between light and heavy transition-metal elements. In: Journal of Physics Condensed Matter. 2014 ; Vol. 26, No. 6.
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