Tailoring Magnetic Doping in the Topological Insulator Bi2Se3

Abstract

We theoretically investigate the possibility of establishing ferromagnetism in the topological insulator Bi2Se3 via magnetic doping of 3d transition metal elements. The formation energies, charge states, band structures, and magnetic properties of doped Bi2Se3 are studied using first-principles calculations within density functional theory. Our results show that Bi substitutional sites are energetically more favorable than interstitial sites for single impurities. Detailed electronic structure analysis reveals that Cr and Fe doped materials are still insulating in the bulk but the intrinsic band gap of Bi2Se3 is substantially reduced due to the strong hybridization between the d states of the dopants and the p states of the neighboring Se atoms. The calculated magnetic coupling suggests that Cr doped Bi2Se3 is possible to be both ferromagnetic and insulating, while Fe doped Bi2Se3 tends to be weakly antiferromagnetic.

arXiv comment5 pages, 3 figures

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Cited by in corpus (46)

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• A Proposal to Detect Dark Matter Using Axionic Topological Antiferromagnets
• High-Temperature Quantum Anomalous Hall Effect in n-p Codoped Topological Insulators
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• Tailoring Hybrid Anomalous Hall Response in Engineered Magnetic Topological Insulator Heterostructures
• Impurity states in the magnetic topological insulator V:(Bi,Sb)${}_2$Te${}_3$
• Robust gapless surface state and Rashba-splitting bands upon surface deposition of magnetic Cr on Bi${}_2$Se${}_3$
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• Interlayer Ferromagnetism and High-Temperature Quantum Anomalous Hall Effect in \textit{p}-Doped MnBi${}_2$Te${}_4$ Multilayers
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• Thermal conductivity of Bi${}_2$Se${}_3$ from bulk to thin films: theory and experiment
• Realization of Stable Ferromagnetic Order in Topological Insulator: Codoping Enhanced Magnetism in 4f Transition Metal Doped Bi2Se3
• Ubiquitous impact of localised impurity states on the exchange coupling mechanism in magnetic topological insulators
• Tuning the lattice thermal conductivity in Bismuth Telluride through Cr-doping
• Spin-Polarized Quantum Well States on Bi${}_{2-x}$Fe${}_x$Se${}_3$
• Spin-spin interaction in the bulk of topological insulators
• Topological Magnetoelectric Effect: Nonlinear Time-Reversal-Symmetric Response, Witten Effect, and Half-Integer Quantum Hall Effect
• Magnetic properties of Mn-doped Bi${}_2$Se${}_3$ topological insulators: ab initio calculations
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• Impact of magnetic dopants on magnetic and topological phases in magnetic topological insulators
• Residual gas absorption effect on the electronic structure of Cr-doped Bi2Se3
• Spontaneous ferromagnetism and finite surface energy gap in the topological insulator Bi${}_2$Se${}_3$ from surface Bi$_\rm{Se}$ antisite defects
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• Local moment formation and magnetic coupling of Mn guest atoms in Bi${}_2$Se${}_3$: a low-temperature ferromagnetic resonance study
• Topological Insulators-Based Magnetic Heterostructure
• Topological insulator homojunctions including magnetic layers: the example of n-p type ($n$-QLs Bi${}_2$Se${}_3$/Mn-Bi${}_2$Se${}_3$) heterostructures
• Tunable high speed atomic rotor in Bi${}_2$Se${}_3$ revealed by current noise
• Gap and spin texture engineering of Dirac topological states at the Cr-Bi${}_2$Se${}_3$ interface
• CdTe and HgTe doped with V, Cr, and Mn -- prospects for the quantum anomalous Hall effect
• Hybrid-Order Topological Phase And Transition in 1H Transition Metal Compounds
• Topological Effect of Surface Plasmon Excitation in Gapped Isotropic Topological Insulator Nanowires
• Axion insulator, Weyl points, quantum anomalous Hall effect and magnetic topological phase transition in Eu3In2As4
• Ultra-high mechanical stretchability and controllable topological phase transitions in two-dimensional arsenic
• Introducing antiferromagnetic ordering on the surface states of Bi2Se3 topological insulator by Europium doping
• Structural, Surface Morphology and Magneto-Transport properties of Self Flux Grown Eu Doped Bi2Se3 Single Crystal
• RKKY interaction in helical higher-order topological insulators
• Mössbauer parameters of ${}^{57}$Fe substituents in the topological insulator $B{i}_{2}S{e}_3$
• Twin Domain Structure in Magnetically Doped Topological Insulators
• Spin-polarized scanning tunneling microscopy measurement scheme for determining the quantum geometric tensor
• Carrier free long-range magnetism in Mo doped one quintuple layer Bi2Te3 and Sb2Te3
• The d-p band-inversion topological insulator in bismuth-based skutterudites