Randomness in atomic disorder and consequent squandering of spin-polarization in a ferromagnetically fragile quaternary Heusler alloy FeRuCrSi
arXiv:2406.03661 · doi:10.1039/d6tc01490a
Abstract
RuFeCrSi ( 0 x 1) system is theoretically predicted to be one of the very few known examples of robust half-metallic ferromagnet with 100\% spin polarization. Since Cr is considered to be the main contributor to magnetism, the Fe/Ru substitution is not expected to disturb its magnetic properties any significantly, and hence all Fe-containing members of the series are predicted to follow Slater-Pauling rule with a saturation magnetic moment of 2 /f.u. However, contrarily to the theoretical expectations, some experiments rather show a linear variation of the saturation magnetization and Curie temperature with Fe (\textit{x}) substitution. The equiatomic member FeRuCrSi of this family is also considered as a technologically important material, where the band structure calculations suggest the material to be spin gapless semiconductor. Through our in-depth structural analysis of FeRuCrSi using X-ray diffraction, extended X-ray absorption fine structure and Fe Mössbauer spectrometry, we found a random disorder between Fe and Ru sites, while the magnetic moment in this system is actually contributed by Fe atoms, questioning the very basic foundation of the half-metallic character proposed by all theoretical calculations on RuFeCrSi series. Our Mössbauer result also envisions a rather rare scenario where the main physical properties are intricately correlated to the chemistry of the material in the form of random atomic disorder on a localised scale.
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