Spinel compound, MgV2O4, known as a highly frustrated magnet has been extensively studied both experimentally and theoretically for its exotic quantum magnetic states. However, due to its intrinsic insulating nature in its antiferromagnetic (AFM) ground state, its realistic applications in spintronics are quite limited. Here, based on first-principles calculations, we examine the ferromagnetic (FM) phase of MgV2O4, which was found to host three-dimensional flat band (FB) right near the Fermi level, consequently yielding a large anomalous Hall effect (AHE, σ≈670ω-1cm-1). Our calculations suggest that the half-metallicity feature of MgV2O4 is preserved even after interfacing with MgO due to the excellent lattice matching, which could be a promising spin filtering material for spintronics applications. Lastly, we explore experimental feasibility of stabilizing this FM phase through strain and doping engineering. Our study suggests that an experimentally accessible amount of hole doping might induce a AFM-FM phase transition.
Bibliographical noteFunding Information:
This work is supported by SMART, one of seven centers of nCORE, a Semiconductor Research Corporation program, sponsored by National Institute of Standards and Technology (NIST). We acknowledge computational support from the Minnesota Supercomputing Institute (MSI).
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