Magnetism and electronic structure of ($001$)- and ($111$)-oriented LaTiO${}_3$ bilayers sandwiched in LaScO${}_3$ barriers

In this study, the magnetism and electronic structure of LaTiO${}_3$ bilayers along both the ($001$) and ($111$) orientations are calculated using the density functional theory. The band insulator LaScO${}_3$ is chosen as the barrier layer and substrate to obtain the isolating LaTiO${}_3$ bilayer. For both the ($001$)- and ($111$)-oriented cases, LaTiO${}_3$ demonstrates the G-type antiferromagnetism as the ground state, similar to the bulk material. However, the electronic structure is significantly changed. The occupied bands of Ti are much narrower in the ($111$) case, giving a nearly flat band. As a result, the exchange coupling between nearest-neighbor Ti ions are reformed in these superlattices, which will affect the N'{e}el temperature significantly.