Exchange and magnetic order in bulk and nanostructured Fe 5 Si 3

R. Skomski, P. Kumar, B. Balamurugan, B. Das, P. Manchanda, P. Raghani, A. Kashyap, D. J. Sellmyer

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The Curie temperature of bulk and nanostructured Fe 5 Si 3 is investigated using experiments, density-functional simulations, and many-body model calculations. The bulk intermetallic, which crystallizes in the hexagonal D8 8 structure, exhibits several intriguing features: it does not exist as a room-temperature equilibrium phase, is close to the onset of ferromagnetism, and exhibits two crystallographically very different Fe sites. The samples, produced by rapid quenching (bulk) and cluster deposition (nanoparticulate thin films), have Curie temperatures of about 400 K. Interatomic exchange constants are calculated using the Kohn-Korringa-Rostoker (KKR) method and used to solve the multisublattice mean-field problem for the system. The Vienna ab initio simulation package (VASP) is employed to study the dependence of the Fe moment on the thermally induced spin misalignment, and a model calculation yields an estimate for quantum-spin-liquid corrections. The theory includes Heisenberg exchange but overestimates the Curie temperature, and a discussion is given regarding additional approaches to handle weakly ferromagnetic multisublattice intermetallic compounds.

Original languageEnglish (US)
Pages (from-to)438-447
Number of pages10
JournalJournal of Magnetism and Magnetic Materials
Volume460
DOIs
StatePublished - Aug 15 2018

Fingerprint

Curie temperature
Intermetallics
intermetallics
Heisenberg theory
Rapid quenching
Ferromagnetism
misalignment
Phase equilibria
ferromagnetism
simulation
moments
Thin films
Liquids
room temperature
estimates
liquids
thin films
Experiments
Temperature

Keywords

  • Curie temperature
  • Heisenberg model
  • Quantum spin liquids
  • Weak ferromagnetism

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Exchange and magnetic order in bulk and nanostructured Fe 5 Si 3 . / Skomski, R.; Kumar, P.; Balamurugan, B.; Das, B.; Manchanda, P.; Raghani, P.; Kashyap, A.; Sellmyer, D. J.

In: Journal of Magnetism and Magnetic Materials, Vol. 460, 15.08.2018, p. 438-447.

Research output: Contribution to journalArticle

Skomski, R, Kumar, P, Balamurugan, B, Das, B, Manchanda, P, Raghani, P, Kashyap, A & Sellmyer, DJ 2018, ' Exchange and magnetic order in bulk and nanostructured Fe 5 Si 3 ', Journal of Magnetism and Magnetic Materials, vol. 460, pp. 438-447. https://doi.org/10.1016/j.jmmm.2018.02.015
Skomski, R. ; Kumar, P. ; Balamurugan, B. ; Das, B. ; Manchanda, P. ; Raghani, P. ; Kashyap, A. ; Sellmyer, D. J. / Exchange and magnetic order in bulk and nanostructured Fe 5 Si 3 In: Journal of Magnetism and Magnetic Materials. 2018 ; Vol. 460. pp. 438-447.
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