Anisotropic Electron-Hole Excitation and Large Linear Dichroism in Two-Dimensional Ferromagnet CrSBr with In-Plane Magnetization
arXiv:2301.13342 · doi:10.1103/PhysRevResearch.5.033143
Abstract
The observation of magnetic ordering in atomically thin CrI and CrGeTe monolayers has aroused intense interest in condensed matter physics and material science. Studies of van de Waals two-dimensional (2D) magnetic materials are of both fundamental importance and application interest. In particular, exciton-enhanced magneto-optical properties revealed in CrI and CrBr monolayers have expanded the understanding of exciton physics in 2D materials. Unlike CrI and CrBr with out-of-plane magnetization, CrSBr has an in-plane magnetic moment, therefore, providing a good opportunity to study the magnetic linear dichroism and high-order magneto-optical effects. Here, based on the many-body perturbation method within density-functional theory, we have studied quasiparticle electronic structure, exciton, and optical properties in CrSBr monolayer. Strongly bounded exciton has been identified with the first bright exciton located at 1.35 eV, in good agreement with an experiment of photoluminescence (Nat. Mater. \textbf{20}, 1657 (2021)). Strong contrast in the optical absorption is found between the electric fields lying along the in-plane two orthogonal directions. In accordance with a typical and realistic experimental setup, we show that the rotation angle of linear polarized light, either reflected or transmitted, could be comparable with those revealed in black phosphorene. Such large linear dichroism arises mainly from anisotropic in-plane crystal structure. The magnetic contribution from the off-diagonal component of dielectric function to the linear dichroism in CrSBr is negligible. Our findings not only have revealed excitonic effect on the optical and magneto-optical properties in 2D ferromagnet CrSBr, but also have shown its potential applications in 2D optics and optoelectronics.
arXiv comment47 pages, 24 figures
References in corpus (52)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Layer-dependent Ferromagnetism in a van der Waals Crystal down to the Monolayer Limit
- Discovery of intrinsic ferromagnetism in 2D van der Waals crystals
- Optimized norm-conserving Vanderbilt pseudopotentials
- Two-Dimensional Material Nanophotonics
- Tunable Band Gap and Anisotropic Optical Response in Few-layer Black Phosphorus
- Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
- Wannier90 as a community code: new features and applications
- Optical Spectrum of MoS: Many-body Effects and Diversity of Exciton States
- Optical modulators with two-dimensional layered materials
- Broadband Linear-Dichroic Photodetector in a Black Phosphorus Vertical p-n Junction
- BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures
- Theory of Neutral and Charged Excitons in Monolayer Transition Metal Dichalcogenides
- Direct Observation of Layer-Dependent Electronic Structure in Phosphorene
- Low-temperature photocarrier dynamics in monolayer MoS2
- Excitonic Effects on the Optical Response of Graphene and Bilayer Graphene
- Dielectric screening in two-dimensional insulators: Implications for excitonic and impurity states in graphane
- Exciton Radiative Lifetime in Transition Metal Dichalcogenide Monolayers
- Magnetic Order and Symmetry in the 2D Semiconductor CrSBr
- Valley dynamics probed through charged and neutral exciton emission in monolayer WSe2
- Screening and Many-Body Effects in Two-Dimensional Crystals: Monolayer MoS
- Carrier and polarization dynamics in monolayer MoS2
- Exciton-exciton annihilation in MoSe2 monolayers
- Truncation of Periodic Image Interactions for Confined Systems
- Theory and it ab initio calculation of radiative lifetime of excitons in semiconducting carbon nanotubes
- Interlayer Electronic Coupling on Demand in a 2D Magnetic Semiconductor
- Nonanalyticity, Valley Quantum Phases, and Light-like Exciton Dispersion in Monolayer TMDs: Theory and First-Principles Calculations
- Nonlinear Photoluminescence in Atomically Thin Layered WSe2 Arising from Diffusion-Assisted Exciton-Exciton Annihilation
- Exciton-Coupled Coherent Magnons in a 2D Semiconductor
- Simple Screened Hydrogen Model of Excitons in Two-Dimensional Materials
- Defect-induced modification of low-lying excitons and valley selectivity in monolayer transition metal dichalcogenides
- Large magneto-optical effects and magnetic anisotropy energy in two-dimensional CrGeTe
- Physical origin of giant excitonic and magneto-optical responses in two-dimensional ferromagnetic insulators
- Excitons in anisotropic 2D semiconducting crystals
- Triaxial magnetic anisotropy in the two-dimensional ferromagnetic semiconductor CrSBr
- Interlayer coupling and gate-tunable excitons in transition metal dichalcogenide heterostructures
- Gate Switchable Transport and Optical Anisotropy in 90° Twisted Bilayer Black Phosphorus
- Tunable Excitons in Biased Bilayer Graphene
- Substrate screening effects on the quasiparticle band gap and defect charge transition levels in MoS
- Band Topology, Orbital Phase Winding, and Selection Rules in Excitonic Physics in Two Dimensions
- Magnetism and Magneto-optical Effects in Bulk and Few-layer CrI: A Theoretical GGA + U Study
- Temperature Renormalization of Optical Spectra of Monolayer MoS2
- Orbital symmetry and the optical response of single-layer monochalcogenides
- Exciton Energy Spectra in Two-Dimensional Graphene Derivatives
- Systematic study of magnetic linear dichroism and birefringence in (Ga,Mn)As
- Origin of layer dependence in band structures of two-dimensional materials
- Fully relativistic /Bethe-Salpeter calculations in BerkeleyGW: implementation, symmetries, benchmarking, and performance
- Optical and magneto-optical properties of ferromagnetic monolayer CrBr: A first-principles and plus Bethe-Salpeter equation study
- New Mechanism for Strongly Bound Excitons in Gapless Two-Dimensional Structures
- The first- and second-order magneto-optical effects and intrinsically anomalous transport in 2D van der Waals layered magnets CrXY (X = S, Se, Te; Y = Cl, Br, I)
- Quasiparticle Energies and Excitonic Effects of Chromium Trichloride: from Two Dimensions to Bulk
- Enhanced Many-Electron Effects on Excited States of Gated Bilayer Graphene