Abstract
Structural, electronic and magnetic properties of vanadium ferrite are studied using density functional theory with Perdew Burke Ernzerhof Generalized Gradient Approximation (PBE-GGA) type exchange-correlation functional. The calculated lattice constant of VFe2O4 has 0.667% difference with experimental one. The optimized lattice constant is used in self-consistent field calculations to investigate the magnetic and electronic properties. The magnetic properties of VFe2O4 reveals it's half magnetic nature. Furthermore; the magnetic moments, spin-exchange splitting, exchange coefficients, spin-polarized crystal field splitting and edge spin splitting energy of the spinel are also calculated for both spin channels. The large value of magnetic moment (13.999 μB) for VFe2O4 shows it's suitability for fabrication of the spintronic devices. Magnetic anisotropy energy of this spinel is also estimated from the difference of easy and hard directions of magnetization.
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