Computational study of switching properties in Mn and transition metal co-doped BFO

Abstract

The coupling between electric polarization and magnetization in single-phase bismuth ferrite BiFeO3 (BFO) has a potential for low-power devices. To improve the switching ability of bismuth ferrite, the effect of lanthanum (La) at A-site, and manganese (Mn) at B-site as mono- and co-dopants on spin electronic properties, spin polarization, and spin magnetic properties of Bi0.75La 0.25Fe0.75Mn0.25O3 in cubic phase have been explored by using the first principles. An upsurge in the density of states is detected in the inclusion of Mn and La atoms, which modify the band gap in the spin-down state. Enhancement in the magnetic moment is observed on doping of Mn and La atoms in BFO as mono- and co-dopant due to the combined involvement of these impurities to terminate the cycloidal spin structure and activate the hidden spin. The switching properties such as linear Edelstein effect and spin polarization of co-doped BFO material enhanced to 1.612 × 10−9 m/V and 100% respectively whereas the high value of 2.161 × 10−11 (A/m2) spin current density, 3.600 × 10−2 (Sm−1) conductivity, and 9.200 × 10−11 (A/m2) charge current density have been detected in La-doped system.