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

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$.

10 pages, 6 figures

References in corpus (8)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Quantized Anomalous Hall Effect in Magnetic Topological Insulators
• Three dimensional topological invariants for time reversal invariant Hamiltonians and the three dimensional quantum spin Hall effect
• Magnetic proximity effect at Bi${}_2$Se${}_3$/EuS interface with broken inversion symmetry
• Absence of magnetic-proximity effect at the interface of Bi${}_2$Se${}_3$ and (Bi,Sb)${}_2$Te${}_3$ with EuS
• Do topology and ferromagnetism cooperate at the EuS/Bi${}_2$Se${}_3$ interface?
• Band Topology and Dichroic Signature of Bismuth

Cited by in corpus (2)

• Discovery of a high-temperature antiferromagnetic state and transport signatures of exchange interactions in a Bi2Se3/EuSe heterostructure
• Sb2Se3 and SbBiSe3 Surface Capping and Biaxial Strain Co-Engineering for Tuning the Surface Electronic Properties of Bi2Se3 Nanosheet- A Density Functional Theory based Investigation