Unique electronic state in ferromagnetic semiconductor FeCl monolayer
arXiv:2204.07755 · doi:10.1039/D2TC00554A
Abstract
Two-dimensional (2D) van der Waals (vdW) magnetic materials could be an ideal platform for ultracompact spintronic applications. Among them, FeCl monolayer in the triangular lattice is subject to a strong debate. Thus, we critically examine its spin-orbital state, electronic structure, and magnetic properties, using a set of delicate first-principles calculations, crystal field level analyses, and Monte Carlo simulations. Our work reveals that FeCl monolayer is a ferromagnetic (FM) semiconductor in which the electron correlation of the narrow Fe bands determines the band gap of about 1.2 eV. Note that only when the spin-orbit coupling (SOC) is properly handled, the unique electronic ground state is achieved. Then, both the orbital and spin contributions (0.59 plus 3.56 ) to the total magnetic moment well account for, for the first time, the experimental perpendicular moment of 4.3 /Fe. Moreover, we find that a compressive strain further stabilizes the ground state, and that the enhanced magnetic anisotropy and exchange coupling would boost the Curie temperature () from 25 K for the pristine FeCl monolayer to 69-102 K under 3-5 compressive strain. Therefore, FeCl monolayer is indeed an appealing 2D FM semiconductor.
6 pages, 6 figures, 1 table
References in corpus (28)
- Electric Field Effect in Atomically Thin Carbon Films
- Two-Dimensional Gas of Massless Dirac Fermions in Graphene
- Experimental Observation of Quantum Hall Effect and Berry's Phase in Graphene
- Magic-angle graphene superlattices: a new platform for unconventional superconductivity
- Layer-dependent Ferromagnetism in a van der Waals Crystal down to the Monolayer Limit
- Discovery of intrinsic ferromagnetism in 2D van der Waals crystals
- Gate-tunable Room-temperature Ferromagnetism in Two-dimensional FeGeTe
- Magnetic 2D materials and heterostructures
- Magnetic-field-induced quantized anomalous Hall effect in intrinsic magnetic topological insulator MnBiTe
- Electrical Control of 2D Magnetism in Bilayer CrI3
- Giant Tunneling Magnetoresistance in Spin-Filter van der Waals Heterostructures
- Prediction and observation of the first antiferromagnetic topological insulator
- Emergent Phenomena Induced by Spin-Orbit Coupling at Surfaces and Interfaces
- Quasiparticle Self-Consistent GW Theory
- Probing magnetism in 2D van der Waals crystalline insulators via electron tunneling
- Electric-field switching of two-dimensional van der Waals magnets
- Experimental realization of an intrinsic magnetic topological insulator
- Giant and nonreciprocal second harmonic generation from layered antiferromagnetism in bilayer CrI3
- Crystal and Magnetic Structures in Layered, Transition Metal Dihalides and Trihalides
- Electronic structure and magnetism of transition metal dihalides: bulk to monolayer
- Van der Waals spin valves
- Possible Kitaev Quantum Spin Liquid State in 2D Materials with S=3/2
- Stable Half-Metallic Monolayers of FeCl
- Nature of magnetism in CaCoO
- VI3: a 2D Ising ferromagnet
- Impact of spin-orbit coupling on the magnetism of Sr3MIrO6 (M = Ni, Co)
- Two-dimensional ferromagnetic semiconductor VBr3 with tunable anisotropy
- Fragile Symmetry-Protected Half Metallicity in Two-Dimensional van der Waals Magnets: A Case Study of Monolayer FeCl2