Impact of randomness in Fe/Ru anti-site disorder on magnetism and the likely suppression of half-metallicity in quaternary Heusler alloy FeRuCrSi
Abstract
The FexRu2-xCrSi (0 < x < 2) system should theoretically reckoned to be one of the few known examples of a robust half-metallic ferromagnet with 100% spin polarisation, with Cr atoms deemed to be the main contributor to magnetism. In this system, the FeRuCrSi equiatomic member is considered a technologically important material, since band structure calculations suggest that it is a spin-gapless semiconductor. Through our extensive structural analysis of FeRuCrSi using X-ray diffraction, extended X-ray absorption fine structure and 57 Fe Mössbauer spectrometry, we have found a random disorder between the Fe and Ru sites. Contrary to theoretical predictions, the magnetic moment in this system is in fact contributed by Fe atoms, which calls into question the fundamental basis of the half-metallic character proposed for the FexRu2-xCrSi series. Our Mössbauer results also reveal a rare scenario in which key physical properties are intricately correlated with material chemistry in the form of random atomic disorder on a localised scale.
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BibTeX
@article{gupta2026impact,
title = {{Impact of randomness in Fe/Ru anti-site disorder on magnetism and the likely suppression of half-metallicity in quaternary Heusler alloy FeRuCrSi}},
author = {Shuvankar Gupta and Sudip Chakraborty and Vidha Bhasin and Celine Barreteau and Jean-Claude Crivello and Jean-Marc Greneche and S N Jha and D Bhattacharyya and Eric Alleno and Chandan Mazumdar},
journal = {Journal of Materials Chemistry C},
year = {2026},
month = jul,
url = {https://hal.science/hal-05734359v1},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - Impact of randomness in Fe/Ru anti-site disorder on magnetism and the likely suppression of half-metallicity in quaternary Heusler alloy FeRuCrSi
AU - Shuvankar Gupta
AU - Sudip Chakraborty
AU - Vidha Bhasin
AU - Celine Barreteau
AU - Jean-Claude Crivello
AU - Jean-Marc Greneche
AU - S N Jha
AU - D Bhattacharyya
AU - Eric Alleno
AU - Chandan Mazumdar
PY - 2026
DA - 2026/07/29
JO - Journal of Materials Chemistry C
UR - https://hal.science/hal-05734359v1
AB - The FexRu2-xCrSi (0 < x < 2) system should theoretically reckoned to be one of the few known examples of a robust half-metallic ferromagnet with 100% spin polarisation, with Cr atoms deemed to be the main contributor to magnetism. In this system, the FeRuCrSi equiatomic member is considered a technologically important material, since band structure calculations suggest that it is a spin-gapless semiconductor. Through our extensive structural analysis of FeRuCrSi using X-ray diffraction, extended X-ray absorption fine structure and 57 Fe Mössbauer spectrometry, we have found a random disorder between the Fe and Ru sites. Contrary to theoretical predictions, the magnetic moment in this system is in fact contributed by Fe atoms, which calls into question the fundamental basis of the half-metallic character proposed for the FexRu2-xCrSi series. Our Mössbauer results also reveal a rare scenario in which key physical properties are intricately correlated with material chemistry in the form of random atomic disorder on a localised scale.
SN - 2050-7526
SN - 2050-7534
ER -