Numerical analysis of data transfer parameters in transition metals doped multiferroic

Bismuth ferrite (BiFeO₃, BFO) is a remarkable multiferroic material with excellent magnetoelectric switching properties. This study examines the effect of transition metal (X = Co, Ni, Mn, Ti) doping at the B-site of hexagonal-phase BFO on its spin-polarized electronic, structural, and magnetic properties for data transfer applications, using the generalized gradient approximation plus Hubbard U (GGA+U) method. All doped BFO systems in the hexagonal phase exhibit 100% spin polarization at the Fermi level, except for Ni-doped BFO. In Mn-doped BFO, atoms show an enhanced magnetic moment compared to pure and other doped BFO, indicating a localized impact of Mn on the magnetic structure. The data transfer parameters such as magnetoelectric coefficient and magnetic force per unit area of pure and doped BFO were examined numerically. Mndoped BFO exhibits an increase in magnetoelectric coefficient (α) and magnetic force per unit area (MBFO) values, with α reaching 2.46×10-9 s/m and MBFO increasing to 2.46 ×10-7 V·s/m². Besides this, Co-doped BFO shows moderately high values, with α of 2.30 ×10-9 s/m and a MBFO of 2.30 ×10-7 V·s/m².