Experimental and theoretical investigation of FeCrVAl and related compounds

Lukashev, Pavel V.; Stuelke, Lukas; Pottebaum, Zach; Moua, Young; Baker, Gavin; Wysong, Jax; Flesche, Matthew; Valloppilly, Shah; Shand, Paul M.; Kharel, Parashu

doi:10.1088/1402-4896/aca446

Experimental and theoretical investigation of FeCrVAl and related compounds

Journal Article · 29 November 2022 · Physica Scripta

DOI:https://doi.org/10.1088/1402-4896/aca446· OSTI ID:2425416

; Stuelke, Lukas; Pottebaum, Zach; Moua, Young; Baker, Gavin; Wysong, Jax; Flesche, Matthew; Valloppilly, Shah; Shand, Paul M.;

Abstract

We have carried out a combined theoretical and experimental investigation of FeCrVAl, and the effect of Mn and Co doping on its structural, magnetic, and electronic band properties. Our first principles calculations indicate that FeCrVAl, FeCr_0.5Mn_0.5VAl, and FeCr_0.5Co_0.5VAl exhibit nearly perfect spin polarization, which may be further enhanced by mechanical strain. At the same time, FeCrV_0.5Mn_0.5Al and FeCrV_0.5Co_0.5Al exhibit a relatively small value of spin polarization, making them less attractive for practical applications. Using arc melting and high vacuum annealing, we synthesized three compounds FeCrVAl, FeCr_0.5Mn_0.5VAl, and FeCr_0.5Co_0.5VAl, which are predicted to exhibit high spin polarization. The room temperature x-ray diffraction patterns of all samples are fitted with full B2 type disorder with a small amount of FeO₂secondary phase. All samples show very small saturation magnetizations at room temperature. The thermomagnetic curvesM(T)of FeCrVAl and FeCr_0.5Co_0.5VAl are similar to that of a paramagnetic material, whereas that of FeCr_0.5Mn_0.5VAl indicates ferrimagnetic behavior with the Curie temperature of 135 K. Our findings may be of interest for researchers working on Heusler compounds for spin-based electronic applications.

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0012704

OSTI ID:: 2425416

Journal Information:: Physica Scripta, Journal Name: Physica Scripta Journal Issue: 1 Vol. 98; ISSN 0031-8949

Publisher:: IOP Publishing

Country of Publication:: United States

Language:: English

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