# (LaTiO$_3$)$_n$/(LaVO$_3$)$_n$ as a model system for unconventional charge transfer and polar metallicity

## TL;DR

This study uses density functional theory to explore (LaTiO3)n/(LaVO3)n superlattices, revealing unconventional charge transfer, magnetic suppression, and polar metallicity, which challenge traditional band alignment expectations.

## Contribution

It demonstrates novel charge transfer phenomena and emergent properties in oxide superlattices, advancing understanding of interface-driven electronic and magnetic behaviors.

## Key findings

- Unconventional electron transfer from Ti to V layers.
- Metal-insulator transition at n=1 superlattice.
- Polar structure coexists with ferrimagnetism and metallicity at n=2.

## Abstract

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 (LaTiO$_3$)$_n$/(LaVO$_3$)$_n$ magnetic superlattices. The electron transfer from Ti$^{3+}$ to V$^{3+}$ is predicted, which violates the intuitive band alignment based on the electronic structures of LaTiO$_3$ and LaVO$_3$. Such unconventional charge transfer quenches the magnetism of LaTiO$_3$ 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.