A first-principles study for electronic and magnetic properties of LaFeO3/LaCrO3 superlattices

Abstract

Using first-principles calculations based on density functional theory, we study electronic and magnetic properties of LaFeO3/LaCrO3 superlattices. We show that the magnetic structures of [LaFeO3] n[LaCrO3]m superlattices alter drastically with the stacking direction and/or stacking periodicity of (n, m). The magnetic ground states of the superlattices with (1,1) growing along [001] and [110] directions are C-type and A-type antiferromagnetic insulators, respectively, whereas the one growing along [111] direction is a ferromagnetic insulator. These results are indeed in good agreement with recent experimental observations. Furthermore, we find that the superlattices with (1, 2) and (2, 2) exhibit a variety of magnetic structures, some of which are not even observed in bulk systems. The resulting magnetic structures are understood based on Kanamori-Goodenough rule. Our results demonstrate a great potential of artificially fabricated superlattices made of different transition metal oxides for tailoring complex magnetic structures.