Interplay between Mn-acceptor state and Dirac surface states in Mn-doped Bi${}_2$Se${}_3$ topological insulator

Abstract

We investigate the properties of a single substitutional Mn impurity and its associated acceptor state on the (111) surface of Bi${}_2$Se${}_3$ topological insulator. Combining ab initio calculations with microscopic tight-binding modeling, we identify the effects of inversion-symmetry and time-reversal-symmetry breaking on the electronic states in the vicinity of the Dirac point. In agreement with experiments, we find evidence that the Mn ion is in the $+2$-valence state and introduces an acceptor in the bulk band gap. The Mn-acceptor has predominantly $p$-character, and is localized mainly around the Mn impurity and its nearest-neighbor Se atoms. Its electronic structure and spin-polarization are determined by the hybridization between the Mn $d$-levels and the $p$-levels of surrounding Se atoms, which is strongly affected by electronic correlations at the Mn site. The opening of the gap at the Dirac point depends crucially on the quasi-resonant coupling and the strong real-space overlap between the spin-chiral surface states and the mid-gap spin-polarized Mn-acceptor states.

arXiv comment5 pages, 5 figures, journal

References in corpus (21)

• Topological Insulators
• Topological insulators and superconductors
• Experimental Observation of the Quantum Anomalous Hall Effect in a Magnetic Topological Insulator
• Topological Field Theory of Time-Reversal Invariant Insulators
• Quantized Anomalous Hall Effect in Magnetic Topological Insulators
• Magnetic impurities on the surface of a topological insulator
• A topological insulator surface under strong Coulomb, magnetic and disorder perturbations
• The development of ferromagnetism in the doped topological insulator Bi2-xMnxTe3
• Hedgehog Spin-texture and Berry's Phase tuning in a Magnetic Topological Insulator
• Impurity-induced states on the surface of 3D topological insulators
• Ordering of magnetic impurities and tunable electronic properties of topological insulators
• Photoemission Spectroscopy of Magnetic and Non-magnetic Impurities on the Surface of the Bi${}_2$Se${}_3$ Topological Insulator
• Tolerance of topological surface states towards magnetic moments: Fe on Bi2Te3 and Bi2Se3
• Tailoring Magnetic Doping in the Topological Insulator Bi2Se3
• In-plane magnetic anisotropy of Fe atoms on Bi${}_2$Se${}_3$(111)
• Self-consistent theory of ferromagnetism on the surface of a topological insulator
• Spin-texture and magnetic anisotropy of Co adsorbed Bi${}_2$Se${}_3$ topological insulator surfaces
• Probing the wavefunction of the surface states in Bi${}_2$Se${}_3$ topological insulator: a realistic tight-binding approach
• Infrared electrodynamics and ferromagnetism in the topological semiconductors Bi${}_2$Te${}_3$ and Mn-doped Bi${}_2$Te${}_3$
• Strong single-ion anisotropy and anisotropic interactions of magnetic adatoms induced by topological surface states
• Electronic structure and magnetic properties of Mn and Fe impurities near GaAs (110) surface

Cited by in corpus (4)

• Systematics of electronic and magnetic properties in the transition metal doped Sb${}_2$Te${}_3$ quantum anomalous Hall platform
• Spontaneous ferromagnetism and finite surface energy gap in the topological insulator Bi${}_2$Se${}_3$ from surface Bi$_\rm{Se}$ antisite defects
• Impurity-potential-induced gap at the Dirac point of topological insulators with in-plane magnetization
• Magnetic interactions of 4$f$ electrons in the topological insulator chalcogenide Bi${}_2$Se${}_3$