Inducing Magnetic Phase Transitions in Monolayer CrI${}_3$ via Lattice Deformations

Abstract

Atomically thin films of layered chromium triiodide (CrI${}_3$) have recently been regarded as suitable candidates to a wide spectrum of technologically relevant applications, mainly owing to the opportunity they offer to achieve a reversible transition between coexisting in-plane ferro- and out-of-plane antiferro-magnetic orders. However, no routes for inducing such a transition have been designed down to the single-layer limit. Here, we address the magnetic response of monolayer CrI${}_3$ to in-plane lattice deformations through a combination of isotropic Heisenberg spin Hamiltonians and first-principles calculations. Depending on the magnitude and orientation of the lattice strain exerted, we unveil a series of direction-dependent parallel-to-antiparallel spins crossovers, which yield the emergence of ferromagnetic, Néel antiferromagnetic, zigzag and stripy antiferromagnetic ground states. Additionally, we identify a critical point in the magnetic phase diagram whereby the exchange couplings vanish and the magnetism is quenched. Our work establishes guidelines for extensively tailoring the spin interactions in monolayer CrI${}_3$ via strain engineering, and further expands the magnetically ordered phases which can be hosted in a two-dimensional crystal.

References in corpus (28)

• Electric Field Effect in Atomically Thin Carbon Films
• The electronic properties of graphene
• Two Dimensional Atomic Crystals
• Magic-angle graphene superlattices: a new platform for unconventional superconductivity
• Layer-dependent Ferromagnetism in a van der Waals Crystal down to the Monolayer Limit
• Anyons in an exactly solved model and beyond
• Correlated Insulator Behaviour at Half-Filling in Magic Angle Graphene Superlattices
• Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
• Magnetic 2D materials and heterostructures
• Electrical Control of 2D Magnetism in Bilayer CrI3
• Giant Tunneling Magnetoresistance in Spin-Filter van der Waals Heterostructures
• Controlling magnetism in 2D CrI3 by electrostatic doping
• Probing magnetism in 2D van der Waals crystalline insulators via electron tunneling
• Stacking-Dependent Magnetism in Bilayer CrI${}_3$
• On the origin of magnetic anisotropy in two dimensional CrI${}_3$
• Strain-tunable magnetic anisotropy in monolayer CrCl${}_3$, CrBr${}_3$, and CrI${}_3$
• Very Large Tunneling Magnetoresistance in Layered Magnetic Semiconductor CrI${}_3$
• Switching 2D Magnetic States via Pressure Tuning of Layer Stacking
• Pressure-controlled interlayer magnetism in atomically thin CrI3
• CDW, Superconductivity and Anomalous Metallic Behavior in 2D Transition Metal Dichalcogenides
• Probing magnetism in 2D materials at the nanoscale with single spin microscopy
• Predicting the Spin-Lattice Order of Frustrated Systems from First-Principles
• Strain-tunable magnetic and electronic properties of monolayer CrI3
• Calculating critical temperatures for ferromagnetic order in two-dimensional materials
• High throughput computational screening for 2D ferromagnetic materials: the critical role of anisotropy and local correlations
• Pressure-tuned magnetic interactions in honeycomb Kitaev materials
• Magnetic exchange interactions in monolayer CrI${}_3$ from many-body wavefunction calculations
• Atomic-scale defects in the two-dimensional ferromagnet CrI${}_3$ from first principles

Cited by in corpus (18)

• Meron-Like Topological Spin Defects in Monolayer CrCl3
• Magnetic Anisotropy in Spin-3/2 with Heavy Ligand in Honeycomb Mott Insulators: Application to CrI${}_3$
• Distinctive magnetic properties of CrI3 and CrBr3 monolayers caused by spin-orbit coupling
• Theoretical prediction of Curie temperature in two-dimensional ferromagnetic monolayer
• Exotic Magnetic and Electronic Properties of Layered CrI3 Single Crystals Under High Pressure
• Control of magnetic states and spin interactions in bilayer CrCl${}_3$ with strain and electric fields: an ab initio study
• Manipulation of magnetic topological textures via perpendicular strain and polarization in van der Waals magnetoelectric heterostructure
• Magnetism and stability of all primitive stacking patterns in bilayer chromium trihalides
• Enhanced Curie temperature and skyrmion stability in room temperature ferromagnetic semiconductor CrISe monolayer
• Uniaxial pressure effects in the two-dimensional van-der-Waals ferromagnet CrI${}_3$
• On-site and inter-site Hubbard corrections in magnetic monolayers: The case of FePS${}_3$ and CrI${}_3$
• Strain Engineering of Magnetoresistance and Magnetic Anisotropy in CrSBr
• Monolayer C${}_{60}$ networks: A first-principles perspective
• Magnetoelectric imprint of skyrmions in van der Waals bilayers
• Electronic excitations and spin interactions in chromium trihalides from embedded many-body wavefunctions
• Magnetoelectric torque in polar magnetic bilayers
• Tailored Vapor Deposition Unlocks Large-Grain, Wafer-Scale Epitaxial Growth of 2D Magnetic CrCl3
• Spin-orbit coupling controlled two-dimensional magnetism in chromium trihalides