Charge transfer, confinement, and ferromagnetism in LaMnO$_3$/LaNiO$_3$ (001)-superlattice

Abstract

Using first-principles density functional theory calculations, we investigated the electronic structure and magnetic properties of (LaMnO$_3$)$_m$/(LaNiO$_3$)$_n$ superlattices stacked along (001)-direction. The electrons are transferred from Mn to Ni, and the magnetic moments are induced at Ni sites that are paramagnetic in bulk and other types of superlattices. The size of induced moment is linearly proportional to the amount of transferred electrons, but it is larger than the net charge transfer because the spin and orbital directions play important roles and complicate the transfer process. The charge transfer and magnetic properties of the ($m$,$n$) superlattice can be controlled by changing the $m/n$ ratio. Considering the ferromagnetic couplings between Mn and Ni spins and the charge transfer characteristic, we propose the (2,1) superlattice as the largest moment superlattice carrying $\sim8\mu_B$ per formula unit.