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Elongation and compression of Fe-Fe atomic pairs in Fe-Ni invar alloys: Microscopic observations of the magnetovolume effect in ferromagnetic Fe-Ni fcc-based alloys

Naoki Ishimatsu1,*, Yusuke Kubo2, Naoto Kitamura3, Naomi Kawamura4, Saori Kawaguchi-Imada4,†, and Tetsuo Irifune1

  • *Contact author: ishimatsu.naoki.uu@ehime-u.ac.jp
  • †Present address: DECTRIS Japan K.K, 3-37 Higashi-Nobusue, Himeji 670-0965, Japan; Faculty of Materials for Energy, Shimane University, 1060 Nishikawazucho, Matsue 690-8504, Japan.
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Phys. Rev. B 112, 064109 – Published 20 August, 2025

DOI: https://doi.org/10.1103/b3cl-fy2t

Abstract

The atomic scale origin of the invar effect and the large magnetovolume effect in Fe-Ni alloys is revisited by investigating the Ni-content dependence of bulk modulus B0 of Fe-Fe, Fe-Ni, and Ni-Ni atomic pairs using reverse Monte Carlo modeling with a dataset of extended x-ray absorption fine structure and powder x-ray diffraction under high pressure. To this end, the results of the Fe65Ni35 invar alloy were compared with those of Ni-rich ferromagnetic Fe55Ni45 and Fe20Ni80 alloys. The elongation of Fe-Fe pairs compared to the bond lengths of Fe-Ni and Ni-Ni pairs is commonly observed in the ferromagnetic states of all Fe-Ni alloys. The B0 value of each atomic pair is comparable to the value of bulk B0 when the ferromagnetic phase is stable under high pressure, while the rapid shrinkage of the elongating Fe-Fe pairs results in a smaller value of B0 at the destabilized ferromagnetic region. Therefore, the magnetovolume effect in Fe-Ni alloys is interpreted as a result of the elongating Fe-Fe pairs and their population in the alloy. The elongation and subsequent shrinkage of Fe-Fe pairs at the destabilization of the ferromagnetic order plays a crucial role for initiating the invar effect.

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Phys. Rev. B 112, 064109– Published 20 August, 2025
  • Received 6 March 2025
  • Revised 2 June 2025
  • Accepted 16 July 2025
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