Large exciton binding energies in MnPS${}_3$ as a case study of vdW layered magnet

Abstract

Stable excitons in semiconductor monolayers such as transition-metal dichalcogenides (TMDCs) enable and motivate fundamental research as well as the development of room-temperature optoelectronics applications. The newly discovered layered magnetic materials present a unique opportunity to integrate optical functionalities with magnetism. We predict that a large class of antiferromagnetic semiconducting monolayers of the MPX${}_3$ family exhibit giant excitonic binding energies, making them suitable platforms for magneto-optical investigations and optospintronics applications. Indeed, our investigations, based on first principles methods combined with an effective-model Bethe-Salpeter solver, show that excitons in bare Neel-MnPS${}_3$ are bound by more than 1 eV, which is twice the excitonic energies in TMDCs. In addition, the antiferromagnetic ordering of monolayer samples can be inferred indirectly using different polarization of light.

arXiv comment10 pages, 4 figures, 7 tables

References in corpus (38)

• Layer-dependent Ferromagnetism in a van der Waals Crystal down to the Monolayer Limit
• Discovery of intrinsic ferromagnetism in 2D van der Waals crystals
• Exciton Binding Energy and Nonhydrogenic Rydberg Series in Monolayer WS2
• Magnetic 2D materials and heterostructures
• Phonons in single and few-layer MoS2 and WS2
• Ab initio calculation of excitonic effects in the optical spectra of semiconductors
• Theory of Neutral and Charged Excitons in Monolayer Transition Metal Dichalcogenides
• Hubbard-corrected DFT energy functionals: the LDA+U description of correlated systems
• Direct observation of van der Waals stacking dependent interlayer magnetism
• Magnetic ground state of semiconducting transition metal trichalcogenide monolayers
• Electronic and magnetic properties of single-layer MPX${}_3$ metal phosphorous trichalcogenides
• Role of Polar Phonons in the Photo Excited State of Metal Halide Perovskites
• Magneto-Optics of Exciton Rydberg States in a Monolayer Semiconductor
• Momentum-space indirect interlayer excitons in transition metal dichalcogenide van der Waals heterostructures
• Layer-Resolved Magnetic Proximity Effect in van der Waals Heterostructures
• Antiferromagnetic ordering in van der Waals two-dimensional magnetic material MnPS3 probed by Raman spectroscopy
• Are we van der Waals ready?
• Proximity exchange effects in MoSe${}_2$ and WSe${}_2$ heterostructures with CrI${}_3$: twist angle, layer, and gate dependence
• Magnetic Proximity Effects in Transition-Metal Dichalcogenides: Converting Excitons
• Exciton g-factors of van der Waals heterostructures from first principles calculations
• Observation of Magnetic Proximity Effect Using Resonant Optical Spectroscopy of an Electrically Tunable MoSe${}_2$/CrBr${}_3$ Heterostructure
• Environmentally-Sensitive Theory of Electronic and Optical Transitions in Atomically-Thin Semiconductors
• Isolation and Characterization of Few-layer Manganese Thiophosphite
• Screened potential of a point charge in a thin film
• Beyond the quasiparticle approximation: Fully self-consistent $GW$ calculations
• Layer dependent electronic structure changes in transition metal dichalcogenides- The microscopic origin
• Electronic, magnetic and optical properties of MnPX${}_3$ (X = S, Se) monolayers with and without chalcogen defects: A first-principle study
• Evaluation of van der Waals density functionals for layered materials
• Tunneling transport of mono- and few-layers magnetic van der Waals MnPS${}_3$
• Bright excitons with negative-mass electrons
• $k\cdot p$ theory for phosphorene: Effective g-factors, Landau levels, and excitons
• Interplay of the exciton and electron-hole plasma recombination on the photoluminescence dynamics in bulk GaAs
• Giant proximity exchange and valley splitting in transition metal dichalcogenide/$h\mathrm{BN}$/(Co, Ni) heterostructures
• Excitonic Magneto-Optical Kerr Effect in 2D Transition Metal Dichalcogenides Induced by Spin Proximity
• The impact of hexagonal boron nitride encapsulation on the structural and vibrational properties of few layer black phosphorus
• Excitons in Phosphorene: A Semi-Analytical Perturbative Approach
• Unusual spin properties of InP wurtzite nanowires revealed by Zeeman splitting spectroscopy
• Assessment of approaches for dispersive forces employing graphone as a case study

Cited by in corpus (10)

• Spin-correlated exciton-polaritons in a van der Waals magnet
• Controlling magnetic exchange and anisotropy by non-magnetic ligand substitution in layered MPX3 (M = Ni, Mn; X = S, Se)
• Limited ferromagnetic interactions in monolayers of MPS${}_3$ (M=Mn, Ni)
• Proximity effects in graphene on monolayers of transition-metal phosphorus trichalcogenides MPX${}_3$
• Large Exciton Binding Energy in the Bulk van der Waals Magnet CrSBr
• Electronic band structure changes across the antiferromagnetic phase transition of exfoliated MnPS${}_3$ probed by $\mu$-ARPES
• Stress-Tuned Optical Transitions in Layered 1T-MX2 (M= Hf, Zr, Sn; X= S, Se) Crystals
• Enhanced Magnetization by Defect-Assisted Exciton Recombination in Atomically Thin CrCl${}_3$
• Exciton transport driven by spin excitations in an antiferromagnet
• Band-spin-valley coupled exciton physics in antiferromagnetic MnPS${}_3$