High spin polarization in the disordered quaternary Heusler alloy FeMnVGa

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dc.contributor.authorGupta, Sen_AU
dc.contributor.authorChakraborty, Sen_AU
dc.contributor.authorBhasin, Ven_AU
dc.contributor.authorPakhira, Sen_AU
dc.contributor.authorDan, Sen_AU
dc.contributor.authorBarreteau, Cen_AU
dc.contributor.authorCrivello, JCen_AU
dc.contributor.authorJha, SNen_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorGreneche, JMen_AU
dc.contributor.authorBhattacharyya, Den_AU
dc.contributor.authorAlleno, Een_AU
dc.contributor.authorMazumdar, Cen_AU
dc.date.accessioned2023-11-19T23:50:06Zen_AU
dc.date.available2023-11-19T23:50:06Zen_AU
dc.date.issued2023-07-25en_AU
dc.date.statistics2023-08-18en_AU
dc.descriptionThe pre print of the the item from https://arxiv.org/abs/2303.08579 has been added.en_AU
dc.description.abstractIn this paper, we report the successful synthesis of a Fe-based highly spin-polarized quaternary Heusler alloy FeMnVGa and its structural, magnetic, and transport properties probed through different experimental methods and theoretical techniques. Density functional theory (DFT) calculations performed on different types of structures reveal that the structure with Ga at 4a, V at 4b, Mn at 4c, and Fe at 4d (space group F¯43m) possess minimum energy among all the ordered variants. Ab initio simulations in the most stable ordered structure show that the compound is a ferromagnet having a large spin-polarization (89.9%). Neutron diffraction reveals that the compound crystallizes in disordered type-2 structure (space group Fm¯3m) in which Ga occupies at 4a, V 4b and Fe/Mn occupy 4c/4d sites with 50:50 proportions. The structural disorder is further confirmed by x-ray diffraction, extended x-ray absorption fine structure, 57Fe Mössbauer spectrometry results, and DFT calculations. Magnetization studies suggest that the compound orders ferromagnetically below TC∼293 K and the saturation magnetization follows the Slater-Pauling rule. Mössbauer spectrometry, along with neutron diffraction, suggest that Mn is the major contributor to the total magnetism in the compound, consistent with the theoretical calculations, which also indicates that spin polarization remains high (81.3%), even in the presence of such large atomic disorder. The robustness of the half-metallic ferromagnetic (HMF) property in the presence of disorder is a quite unique characteristic over other reported HMF in literature and makes this compound quite promising for spintronics applications. ©2023 American Physical Society.en_AU
dc.description.sponsorshipS.G. and S.C. would like to sincerely acknowledge SINP, India and UGC, India, respectively, for their fellowship. DFT calculations were performed using HPC resources from GENCI-CINES (Grant No. 2021-A0100906175). Work at the Ames National Laboratory (in part) was supported by the Department of Energy-Basic Energy Sciences, Materials Sciences and Engineering Division under Contract No. DE-AC02-07CH11358.en_AU
dc.identifier.articlenumber045137en_AU
dc.identifier.citationGupta, S., Chakraborty, S., Bhasin, V., Pakhira, S., Dan, S., Barreteau, C., Crivello, J.-C., Jha, S. N., Avdeev, M., Greneche, J.-M., Bhattacharyya, D., Alleno, E., & Mazumdar, C. (2023). High spin polarization in the disordered quaternary Heusler alloy FeMnVGa. Physical Review B, 108(4), 045137. https://doi.org/10.1103/PhysRevB.108.045137en_AU
dc.identifier.issn2469-9969en_AU
dc.identifier.issue4en_AU
dc.identifier.journaltitlePhyscial Review Ben_AU
dc.identifier.urihttps://arxiv.org/abs/2303.08579en_AU
dc.identifier.urihttps://apo.ansto.gov.au/handle/10238/15209en_AU
dc.identifier.volume108en_AU
dc.language.isoenen_AU
dc.publisherAmerican Physical Societyen_AU
dc.relation.urihttps://doi.org/10.1103/PhysRevB.108.045137en_AU
dc.subjectElectrical propertiesen_AU
dc.subjectPolarizationen_AU
dc.subjectSpinen_AU
dc.subjectHeusler alloysen_AU
dc.subjectMolecular structureen_AU
dc.subjectMagnetismen_AU
dc.subjectCrystal structureen_AU
dc.subjectX-ray Spectroscopyen_AU
dc.subjectNeutron diffractionen_AU
dc.titleHigh spin polarization in the disordered quaternary Heusler alloy FeMnVGaen_AU
dc.typeJournal Articleen_AU
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