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In this work, we report the successful synthesis of a Fe-based novelhalf-metallic quaternary Heusler alloy FeMnVGa and its structural, magnetic andtransport properties probed through different experimental methods andtheoretical technique. Density functional theory (DFT) calculations performedon different types of structure reveal that Type-2 ordered structure (spacegroup: F-43m, Ga at 4a, V at 4b, Mn at 4c and Fe at 4d) possess minimum energyamong all the ordered variants. Ab-initio simulations in Type 2 orderedstructure further reveal that the compound is half-metallic ferromagnet (HMF)having a large spin-polarization (89.9 %). Neutron diffraction reveal that thecompound crystalizes in disordered Type-2 structure (space group: Fm-3m) inwhich Ga occupy at 4a, V at 4b and Fe/Mn occupy 4c/4d sites with 50:50proportions. The structural disorder is further confirmed by X-ray diffraction(XRD), extended X-ray absorption fine structure (EXAFS),57Fe Mossbauerspectrometry results and DFT calculations. Magnetisation studies suggest thatthe compound orders ferromagnetically below TC ~ 293 K and the saturationmagnetization follows Slater-Pauling rule. Mossbauer spectrometry, along withneutron diffraction suggest that Mn is the major contributor to the totalmagnetism in the compound consistent with the theoretical calculations. Firstprinciple calculations indicate that spin-polarization remain high (81.3 %)even in the presence of such large atomic disorder. The robustness of the HMFproperty in presence of disorder is a quite unique characteristic over otherreported HMF in literature and make this compound quiet promising forspintronics applications.

High spin-polarization in a disordered novel quaternary Heusler alloy FeMnVGa