Structural, electronic, and optical properties of heterointerface based on antiferromagnet LaMnO<inf>3</inf> and ferroelectrics isostructural to BaTiO<inf>3</inf>

Abstract

© 2019, © 2019 Taylor & Francis Group, LLC. We present the results of structural, electronic, and optical properties calculations of BaTiO3/LaMnO3 heterostructure composed of varying number of layers based on first-principles calculations and theoretical consideration. We have shown a possibility of a quasi-two-dimensional gas state (q2DEG) formation. We analyze an impact of ferroelectric polarization onto the q2DEG conducting properties by layer-resolved density of states calculations. Optical properties of BaTiO3/LaMnO3 heterostructure are discussed as well.