Multiferroicity and 180$^\circ$ domain switching in LaFeO$_3$ via Antisite Defects

TL;DR

This study demonstrates that introducing antisite defects in LaFeO$_3$ can induce multiferroic properties, enabling coupled ferroelectric and ferrimagnetic orders with switchable polarization and magnetic states, as shown through density functional theory.

Contribution

It reveals a novel way to induce multiferroicity in LaFeO$_3$ via antisite defects, showing coupled ferroelectric and magnetic switching capabilities.

Findings

Antisite defects induce ferroelectricity and ferrimagnetism in LaFeO$_3$

Coupled ferroelectric and magnetic switching observed

Potential for electric control of magnetic order

Abstract

Materials with coexisting and coupled ferroelectric and magnetic orders are rare. Here we show, using density functional theory calculations, that inducing Fe$_\mathrm{La}$ antisites into non-ferroelectric and antiferromagnetic LaFeO$_3$ renders the material at the same time ferroelectric and ferrimagnetic. Even more excitingly, we observe a direct coupling between the ferroelectric and ferrimagnetic polarization, the latter being switchable by the former. While on average the magnetic moments of antisites would cancel, we envision that preparing defective LaFeO$_3$ under simultaneous electric and magnetic fields will lead to a net magnetic moment due to magnetic domain reconfiguration. Moreover, ferroelectric switching under a static magnetic field can lead to 180$^\circ$ switching of the antiferromagnetic order in LaFeO$_3$.