(LaTiO3)n/(LaVO3)n as a model system for unconventional charge transfer and polar metallicity.

At interfaces between oxide materials, lattice and electronic reconstructions always play important roles in exotic phenomena. In this study, the density functional theory and maximally localized Wannier functions are employed to investigate the (LaTiO3)n/(LaVO3)n magnetic superlattices. The electron transfer from Ti3+ to V3+ is predicted, which violates the intuitive band alignment based on the electronic structures of LaTiO3 and LaVO3. Such unconventional charge transfer quenches the magnetism of LaTiO3 layer mostly and leads to metal-insulator transition in the n=1 superlattice when the stacking orientation is altered. In addition, the compatibility among the polar structure, ferrimagnetism, and metallicity is predicted in the n=2 superlattice. [ABSTRACT FROM AUTHOR]