Raman Spectrum of CrI${}_3$: an ab-initio study

Abstract

We study the Raman spectrum of CrI${}_3$, a material that exhibits magnetism in a single-layer. We employ first-principles calculations within density functional theory to determine the effects of polarization, strain, and incident angle on the phonon spectra of the 3D bulk and the single-layer 2D structure, for both the high- and low-temperature crystal structures. Our results are in good agreement with existing experimental measurements and serve as a guide for additional investigations to elucidate the physics of this interesting material.

11 pages, 6 figures

References in corpus (1)

• Layer-dependent Ferromagnetism in a van der Waals Crystal down to the Monolayer Limit

Cited by in corpus (22)

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• Giant enhancement of interlayer exchange in an ultrathin 2D magnet
• Microscopic understanding of magnetic interactions in bilayer CrI${}_3$
• Tuning Inelastic Light Scattering via Symmetry Control in 2D Magnet CrI${}_3$
• Raman fingerprint of two terahertz spin wave branches in a two-dimensional honeycomb Ising ferromagnet
• Distinct spin-lattice and spin-phonon interactions in monolayer magnetic CrI${}_3$
• Distinct magneto-Raman signatures of spin-flip phase transitions in CrI3
• Magnetic field-induced quantum phase transitions in a van der Waals magnet
• Magnetic order induced polarization anomaly of Raman scattering in 2D magnet CrI${}_3$
• Observation of the polaronic character of excitons in a two-dimensional semiconducting magnet $\mathrm{Cr}{\mathrm{I}}_3$
• Lattice dynamics and phase transition in CrI${}_3$ single crystals
• Strain and electric-field control of spin-spin interactions in monolayer CrI${}_3$
• Tunable layered-magnetism-assisted magneto-Raman effect in a two-dimensional magnet $\mathrm{Cr}{\mathrm{I}}_3$
• Polarization-resolved Raman spectroscopy of α-RuCl3 and evidence of room temperature two-dimensional magnetic scattering
• Phonon-mediated dimensional crossover in bilayer CrI3
• Exotic Magnetic and Electronic Properties of Layered CrI3 Single Crystals Under High Pressure
• On-site and inter-site Hubbard corrections in magnetic monolayers: The case of FePS${}_3$ and CrI${}_3$
• Terahertz Magnetic and Lattice Excitations in van der Waals Ferromagnet VI3
• Observation of intrinsic crystal phase in bare CrI3 ferromagnetism
• Large cross-polarized Raman signal in CrI${}_3$: A first-principles study
• Group Theory Analysis of Phonons in Monolayer Chromium Trihalides and Their Janus Structures
• Monolayer-to-mesoscale modulation of the optical properties in 2D CrI3 mapped by hyperspectral microscopy