Partial Charge Transfer and Absence of Induced Magnetization in EuS(111)/Bi$_2$Se$_3$ Heterostructures

TL;DR

This study uses first-principles calculations to investigate EuS(111)/Bi$_2$Se$_3$ heterostructures, revealing partial charge transfer and no induced magnetization or magnetic anisotropy at the interface, with implications for topological surface states.

Contribution

It provides a detailed first-principles analysis showing the absence of magnetic proximity effects and induced magnetization in EuS/Bi$_2$Se$_3$ heterostructures, contrasting prior theoretical predictions.

Findings

No appreciable magnetic anisotropy observed.

No induced magnetization at the interface.

Surface dipole shifts Dirac cone below chemical potential.

Abstract

Heterostructures made from topological and magnetic insulators promise to form excellent platforms for new electronic and spintronic functionalities mediated by interfacial effects. We report the results of a first-principles density functional theory study of the geometric, electronic structure, and magnetic properties of EuS(111)/Bi$_2$Se$_3$ interface, including van der Waals and relativistic spin-orbit effects. In contrast to previous theoretical studies, we find no appreciable magnetic anisotropy in such a heterostructure. We also do not see additional induced magnetization at the interface or the magnetic proximity effect on the topological states. This is due to the localized nature of Eu moments, and because of a partial charge transfer of $\sim$0.5 electron from Eu to Se. The formation of the surface dipole shifts the Dirac cone about 0.4~eV below the chemical potential, and the associated electrostatic screening moves the topological state from the first to the second quintuple layer of Bi$_2$Se$_3$.