Ab initio investigation of electronic and magnetic properties of antiferromagnetic/ferroelectric LaMnO<inf>3</inf>/BaTiO<inf>3</inf>interface

Abstract

© 2020 The Author(s). Published by IOP Publishing Ltd. We investigate the structural, electronic and magnetic properties of LaMnO3/BaTiO3 heterostructure by means of ab initio calculations within the GGA+U approach. We consider the heterostructure when ferroelectric polarization in the BaTiO3 film is oriented perpendicular to the LaMnO3 substrate. We present atom and spin-resolved density of states calculations for LaMnO3/BaTiO3 heterostructure with different number of BaTiO3 overlayers as well as layer-resolved spectra for the conducting heterostructure. We found that the LaMnO3/BaTiO3 heterostructure becomes conducting with a significant spin polarization indicating that the interface becomes ferromagnetically ordered. The propose concept of a ferroelectrically controlled interface ferromagnetism that offers the possibility to design novel electronic devices.