Open AccessAb initio investigation of electronic and magnetic properties of antiferromagnetic/ferroelectric LaMnO3/BaTiO3 interface
Author(s) -
V. V. Kabanov,
Irina Piyanzina,
Yu V Lysogorskiy,
D. A. Tayurskiı̆,
Р. Ф. Мамин
Publication year - 2020
Publication title -
materials research express
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.383
H-Index - 35
ISSN - 2053-1591
DOI - 10.1088/2053-1591/ab940e
Subject(s) - heterojunction , condensed matter physics , ferroelectricity , materials science , antiferromagnetism , ferromagnetism , ab initio , ab initio quantum chemistry methods , polarization (electrochemistry) , optoelectronics , chemistry , physics , dielectric , organic chemistry , molecule
We investigate the structural, electronic and magnetic properties of LaMnO 3 /BaTiO 3 heterostructure by means of ab initio calculations within the GGA+ U approach. We consider the heterostructure when ferroelectric polarization in the BaTiO 3 film is oriented perpendicular to the LaMnO 3 substrate. We present atom and spin-resolved density of states calculations for LaMnO 3 /BaTiO 3 heterostructure with different number of BaTiO 3 overlayers as well as layer-resolved spectra for the conducting heterostructure. We found that the LaMnO 3 /BaTiO 3 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.
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