Unusual Intralayer Ferromagnetism Between S = 5/2 ions in MnBiTe: Role of Empty Bi States
arXiv:2003.06585 · doi:10.1103/PhysRevB.101.201408
Abstract
The layered magnetic topological insulator MnBiTe is a promising platform to realize the quantum anomalous Hall effect because its layers possess intrinsic ferromagnetism. However, it is not well understood why the high-spin magnetic ions Mn forming the Mn-Te-Mn spin exchange paths prefer ferromagnetic (FM) coupling, contrary to the prediction of the Goodenough-Kanamori rule that a TM-L-TM spin exchange, where TM and L are a transition-metal magnetic cation and a main group ligand, respectively, is antiferromagnetic (AFM) even when the bond angle of the exchange path is 90. Using density functional theory (DFT) calculations, we show that the presence of Bi ions is essential for the FM coupling in MnBiTe. Then, using a tight-binding model Hamiltonian, we find that high-spin ions (S = 5/2) in TM-L-TM spin exchange paths prefer FM coupling if the empty p-orbitals of a nonmagnetic cation M (e.g., Bi ion) hybridize strongly with those of the bridging ligand L, but AFM coupling otherwise.
arXiv comment13 pages, 4 figures
References in corpus (31)
- Topological Insulators
- Topological insulators and superconductors
- Quantum Spin Hall Effect and Topological Phase Transition in HgTe Quantum Wells
- Layer-dependent Ferromagnetism in a van der Waals Crystal down to the Monolayer Limit
- Discovery of intrinsic ferromagnetism in 2D van der Waals crystals
- 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
- Spin current and magneto-electric effect in non-collinear magnets
- Magnetic-field-induced quantized anomalous Hall effect in intrinsic magnetic topological insulator MnBiTe
- Prediction and observation of the first antiferromagnetic topological insulator
- Intrinsic magnetic topological insulators in van der Waals layered MnBiTe-family materials
- Magnetoelectric polarizability and axion electrodynamics in crystalline insulators
- Topological axion states in magnetic insulator MnBiTe with the quantized magnetoelectric effect
- Experimental realization of an intrinsic magnetic topological insulator
- Antiferromagnetic topological insulators
- A topological insulator surface under strong Coulomb, magnetic and disorder perturbations
- Quantum Anomalous Hall Effect in Graphene Proximity Coupled to an Antiferromagnetic Insulator
- Predicting the Spin-Lattice Order of Frustrated Systems from First-Principles
- Valley-Polarized Quantum Anomalous-Hall Effects in Silicene
- Quantum Anomalous Hall Effect in 2D Organic Topological Insulators
- Realization of the Axion Insulator State in Quantum Anomalous Hall Sandwich Heterostructures
- Crystal growth and magnetic structure of MnBi2Te4
- Electrically tunable quantum anomalous Hall effect in 5d transition-metal adatoms on graphene
- Large magnetic gap at the Dirac point in a Mn-induced BiTe heterostructure
- Tailoring Exchange Couplings in Magnetic Topological Insulator/Antiferromagnet Heterostructures
- Magnetic anisotropy in antiferromagnetic hexagonal MnTe
- Quantum anomalous Hall effect in magnetic topological insulators
- Spin-Orbital Entanglement and Violation of the Goodenough-Kanamori Rules
- Predicting a Ferrimagnetic Phase of Zn2FeOsO6 with Strong Magnetoelectric Coupling
- The electronic structures and magnetic properties of perovskite ruthenates from constrained orbital hybridization calculations
Cited by in corpus (4)
- Tunable interlayer magnetism and band topology in van der Waals heterostructures of MnBi2Te4-family materials
- Interlayer magnetophononic coupling in MnBi2Te4
- Magnetic Anisotropy in Two-dimensional van der Waals Magnetic Materials and Their Heterostructures: Importance, Mechanisms, and Opportunities
- Layer Zero-Line Modes in Antiferromagnetic Topological Insulators