Structural, Electronic and Magnetic Properties of the Heusler Alloy Mn 2 VIn: A Combined DFT and Experimental Study

TLDR: In this paper, the structural, electronic and magnetic properties of the Heusler alloy Mn2VIn have been investigated using the density functional theory and experimental techniques, and the structural properties were determined using X-ray diffraction, revealing the presence of cubic and tetragonal phases in the sample.

Abstract: Structural, electronic and magnetic properties of the Heusler alloy Mn2VIn have been investigated using the density functional theory and experimental techniques. Unlike many other Heusler compounds, Mn2VIn is not predicted to be half-metallic at the optimized lattice constant, but is highly spin polarized at a slightly lower lattice constant. It however exhibits ferrimagnetic coupling between the Mn and V sublattices, as expected of Mn-based Heuslers. We have, then, synthesized the compound by arc melting and studied magnetic properties that are of interest fundamentally and for technological applications. The structural properties were determined using X-ray diffraction, revealing the presence of cubic and tetragonal phases in the sample. The chemical composition was determined using energy-dispersive X-ray spectroscopy together with the scanning electron microscope, and the magnetic properties were investigated by superconducting quantum interference device magnetometry. The alloy exhibits superparamagnetic spin blocking with a blocking temperature $T_{B}$ of 40 K.