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$.

arXiv comment10 pages, 6 figures

References in corpus (31)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Topological Insulators
• Topological insulators and superconductors
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Topological Insulators in Three Dimensions
• Van der Waals density functionals applied to solids
• Experimental Observation of the Quantum Anomalous Hall Effect in a Magnetic Topological Insulator
• WannierTools: An open-source software package for novel topological materials
• Topological invariants of time-reversal-invariant band structures
• Quantized Anomalous Hall Effect in Magnetic Topological Insulators
• High-throughput electronic band structure calculations: challenges and tools
• Three dimensional topological invariants for time reversal invariant Hamiltonians and the three dimensional quantum spin Hall effect
• Magnetoelectric polarizability and axion electrodynamics in crystalline insulators
• An equivalent expression of Z2 Topological Invariant for band insulators using Non-Abelian Berry's connection
• Dynamical Axion Field in Topological Magnetic Insulators
• Room temperature magnetization switching in topological insulator-ferromagnet heterostructures by spin-orbit torques
• Electric-field control of spin-orbit torque in a magnetically doped topological insulator
• First Principles Investigations of the Atomic, Electronic, and Thermoelectric Properties of Equilibrium and Strained Bi2Se3 & Bi2Te3, with van der Waals Interactions
• Magnetic proximity effect at the 3D topological insulator/magnetic insulator interface
• Direct Optical Coupling to an Unoccupied Dirac Surface State in the Topological Insulator Bi${}_2$Se${}_3$
• Direct measurement of proximity-induced magnetism at the interface between a topological insulator and a ferromagnet
• Quantum anomalous Hall effect in magnetic topological insulators
• Magnetically Defined Qubits on 3D Topological Insulators
• Magnetic proximity effect in the 3D topological insulator/ferromagnetic insulator heterostructure
• Magnetic proximity effect at Bi${}_2$Se${}_3$/EuS interface with broken inversion symmetry
• Interface induced states at the boundary between a 3D topological insulator Bi${}_2$Se${}_3$ and a ferromagnetic insulator EuS
• 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?
• Absence of Magnetic Fluctuations in the Ferromagnetic/Topological Heterostructure EuS/Bi${}_2$Se${}_3$
• Importance of van der Waals interactions for ab initio studies of topological insulators
• 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