Stability, Electronic and Magnetic properties of magnetically doped topological insulators Bi2Se3, Bi2Te3 and Sb2Te3

Abstract

Magnetic interaction with the gapless surface states in topological insulator (TI) has been predicted to give rise to a few exotic quantum phenomena. However, the effective magnetic doping of TI is still challenging in experiment. Using first-principles calculations, the magnetic doping properties (V, Cr, Mn and Fe) in three strong TIs (Bi${}_2$Se${}_3$, Bi${}_2$Te${}_3$ and Sb${}_2$Te${}_3$) are investigated. We find that for all three TIs the cation-site substitutional doping is most energetically favorable with anion-rich environment as the optimal growth condition. Further our results show that under the nominal doping concentration of 4%, Cr and Fe doped Bi${}_2$Se${}_3$, Bi${}_2$Te${}_3$, and Cr doped Sb${}_2$Te${}_3$ remain as insulator, while all TIs doped with V, Mn and Fe doped Sb${}_2$Te${}_3$ become metal. We also show that the magnetic interaction of Cr doped Bi${}_2$Se${}_3$ tends to be ferromagnetic, while Fe doped Bi${}_2$Se${}_3$ is likely to be antiferromagnetic. Finally, we estimate the magnetic coupling and the Curie temperature for the promising ferromagnetic insulator (Cr doped Bi${}_2$Se${}_3$) by Monte Carlo simulation. These findings may provide important guidance for the magnetism incorporation in TIs experimentally.

10 pages, 9 figures

References in corpus (8)

• Experimental Observation of the Quantum Anomalous Hall Effect in a Magnetic Topological Insulator
• Discovery (theoretical prediction and experimental observation) of a large-gap topological-insulator class with spin-polarized single-Dirac-cone on the surface
• Topological Field Theory of Time-Reversal Invariant Insulators
• Quantized Anomalous Hall Effect in Magnetic Topological Insulators
• Impurity effect on weak anti-localization in the topological insulator Bi2Te3
• The development of ferromagnetism in the doped topological insulator Bi2-xMnxTe3
• First Principles Studies on 3-Dimentional Strong Topological Insulators: Bi2Te3, Bi2Se3 and Sb2Te3
• Tailoring Magnetic Doping in the Topological Insulator Bi2Se3

Cited by in corpus (31)

• A Proposal to Detect Dark Matter Using Axionic Topological Antiferromagnets
• Large anomalous Hall effect in ferromagnetic insulator-topological insulator heterostructures
• Quantum Anomalous Hall Effect in Magnetic Insulator Heterostructure
• Adsorption and ultrafast diffusion of lithium in bilayer graphene ab initio and kinetic Monte Carlo simulation study
• Systematics of electronic and magnetic properties in the transition metal doped Sb${}_2$Te${}_3$ quantum anomalous Hall platform
• Quantum Oscillations in iron-doped topological insulator Sb2Te3 crystals
• Impurity states in the magnetic topological insulator V:(Bi,Sb)${}_2$Te${}_3$
• Spin dynamics and magnetic interactions of Mn dopants in the topological insulator Bi${}_2$Te${}_3$
• Mass acquisition of Dirac fermions in Cr-doped topological insulator Sb2Te3 films
• Magneto-transport behaviour of Bi2Se3-xTex: Role of disorder
• Electronic and transport properties of the Mn-doped topological insulator Bi${}_2$Te${}_3$: A first-principles study
• Controllable spin filtering and half metallicity in ${\beta }_{12}$-borophene nanoribbons
• Ubiquitous impact of localised impurity states on the exchange coupling mechanism in magnetic topological insulators
• Effect of Mn doping on ultrafast carrier dynamics in thin films of the topological insulator Bi2Se3
• The AiiDA-KKR plugin and its application to high-throughput impurity embedding into a topological insulator
• Carrier doping of Bi${}_2$Se${}_3$ surface by chemical adsorption -- a DFT study
• Ab-initio Theory of Fourier-transformed Quasiparticle Interference Maps and Application to the Topological Insulator Bi${}_2$Te${}_3$
• Two dimensional ordering and collective magnetic excitations in the dilute ferromagnetic topological insulator (Bi${}_{0.95}$Mn${}_{0.05}$)${}_2$Te${}_3$
• Magnetic properties of Mn-doped Bi${}_2$Se${}_3$ topological insulators: ab initio calculations
• Double Fe-impurity charge state in the topological insulator Bi${}_2$Se${}_3$
• Impact of magnetic dopants on magnetic and topological phases in magnetic topological insulators
• Non-contact mutual inductance based measurement of an inhomogeneous topological insulating state in Bi2Se3 single crystals with defects
• Spin dynamics of $3d$ and $4d$ impurities embedded in prototypical topological insulators
• Strong spin-dephasing in a topological insulator - paramagnet heterostructure
• Axion mass in antiferromagnetic insulators
• Induced Spin-texture at 3$d$ Transition Metal/Topological Insulator Interfaces
• Aggregation of BiTe Monolayer on Bi${}_2$Te${}_3$(111) Induced by Diffusion of Intercalated Atoms in van der Waals Gap
• Gap and spin texture engineering of Dirac topological states at the Cr-Bi${}_2$Se${}_3$ interface
• Twin Domain Structure in Magnetically Doped Topological Insulators
• Mössbauer parameters of ${}^{57}$Fe substituents in the topological insulator $B{i}_{2}S{e}_3$
• Carrier free long-range magnetism in Mo doped one quintuple layer Bi2Te3 and Sb2Te3