Randomness in atomic disorder and consequent squandering of spin-polarization in a ferromagnetically fragile quaternary Heusler alloy FeRuCrSi

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Main Authors: Gupta, Shuvankar, Chakraborty, Sudip, Bhasin, Vidha, Barreteau, Celine, Crivello, Jean-Claude, Greneche, Jean-Marc, Jha, S. N., Bhattacharyya, D., Alleno, Eric, Mazumdar, Chandan
Format: Preprint
Published: 2024
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author Gupta, Shuvankar
Chakraborty, Sudip
Bhasin, Vidha
Barreteau, Celine
Crivello, Jean-Claude
Greneche, Jean-Marc
Jha, S. N.
Bhattacharyya, D.
Alleno, Eric
Mazumdar, Chandan
author_facet Gupta, Shuvankar
Chakraborty, Sudip
Bhasin, Vidha
Barreteau, Celine
Crivello, Jean-Claude
Greneche, Jean-Marc
Jha, S. N.
Bhattacharyya, D.
Alleno, Eric
Mazumdar, Chandan
contents Ru$_{2-x}$Fe$_x$CrSi ( 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 ${μ_B}$/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 $^{57}$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 Ru$_{2-x}$Fe$_x$CrSi 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.
format Preprint
id arxiv_https___arxiv_org_abs_2406_03661
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Randomness in atomic disorder and consequent squandering of spin-polarization in a ferromagnetically fragile quaternary Heusler alloy FeRuCrSi
Gupta, Shuvankar
Chakraborty, Sudip
Bhasin, Vidha
Barreteau, Celine
Crivello, Jean-Claude
Greneche, Jean-Marc
Jha, S. N.
Bhattacharyya, D.
Alleno, Eric
Mazumdar, Chandan
Materials Science
Ru$_{2-x}$Fe$_x$CrSi ( 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 ${μ_B}$/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 $^{57}$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 Ru$_{2-x}$Fe$_x$CrSi 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.
title Randomness in atomic disorder and consequent squandering of spin-polarization in a ferromagnetically fragile quaternary Heusler alloy FeRuCrSi
topic Materials Science
url https://arxiv.org/abs/2406.03661