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.

5 pages, 3 figures

References in corpus (5)

• Discovery (theoretical prediction and experimental observation) of a large-gap topological-insulator class with spin-polarized single-Dirac-cone on the surface
• Quantized Anomalous Hall Effect in Magnetic Topological Insulators
• Theory of ferromagnetic (III,Mn)V semiconductors
• Quantum Anomalous Hall Effect in Graphene from Rashba and Exchange Effects
• The development of ferromagnetism in the doped topological insulator Bi2-xMnxTe3

Cited by in corpus (12)

• Surface State Magnetization and Chiral Edge States on Topological Insulators
• Tailoring Hybrid Anomalous Hall Response in Engineered Magnetic Topological Insulator Heterostructures
• Impurity states in the magnetic topological insulator V:(Bi,Sb)${}_2$Te${}_3$
• Spin-Polarized Quantum Well States on Bi${}_{2-x}$Fe${}_x$Se${}_3$
• Magnetic properties of Mn-doped Bi${}_2$Se${}_3$ topological insulators: ab initio calculations
• Interplay between Mn-acceptor state and Dirac surface states in Mn-doped Bi${}_2$Se${}_3$ topological insulator
• NMR in an electric field: A bulk probe of the hidden spin and orbital polarizations
• Topological Insulators-Based Magnetic Heterostructure
• Tunable high speed atomic rotor in Bi${}_2$Se${}_3$ revealed by current noise
• 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