Magnetism and ferroelectricity in BiFeO3 doped with Ga at Fe sites

Theoretical calculations were performed to investigate the effect of isovalent substitution of Fe with Ga on the magnetic and ferroelectric properties in BiFeO3 doped with 16.6% and 8.3% Ga. Such substitution will break the G-type anti-ferromagnetic order and enhance the magnetism of BiFeO3 by forming a stable ferrimagnetic order. The doped system maintains robust spontaneous polarization that is sufficiently large for practical applications at room temperature. The findings explain experimentally observed magnetism. The coexistence of magnetism and ferroelectricity in the doped BiFeO3 render it a candidate material for application to information storage and spintronics devices. (C) 2019 Elsevier B.V. All rights reserved.