Probing the band structure of the strongly correlated antiferromagnet NiPS3 across its phase transition

Abstract

NiPS3 is an exfoliable van-der-Waals intralayer antiferromagnet with zigzag-type spin arrangement. It is distinct from other TMPS3 (TM: transition metal) materials by optical excitations into a strongly correlated state that is tied to the magnetic properties. However, the related, fundamental band structure across the antiferromagnetic phase transition has not been probed yet. Here, we use angular-resolved photoelectron spectroscopy with μm resolution in combination with DFT+U calculations for that purpose. We identify a characteristic band shift across TN. It is attributed to bands of mixed Ni and S character related to the superexchange interaction of Ni 3t2g orbitals. Moreover, we find a structure above the valence band maximum with little angular dispersion that could not be reproduced by the calculations. The discrepancy suggests the influence of many-body interactions beyond the DFT+U approximations in striking contrast to the results on MnPS3 and FePS3, where these calculations were sufficient for an adequate description.

References in corpus (32)

• 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 Fe${}_3$GeTe${}_2$
• Two-Dimensional Itinerant Ising Ferromagnetism in Atomically thin Fe3GeTe2
• Electric-field control of magnetism in few-layered van der Waals magnet
• Giant and nonreciprocal second harmonic generation from layered antiferromagnetism in bilayer CrI3
• Magnetic ground state of semiconducting transition metal trichalcogenide monolayers
• Suppression of magnetic ordering in XXZ-type antiferromagnetic monolayer NiPS3
• Electronic and magnetic properties of single-layer MPX${}_3$ metal phosphorous trichalcogenides
• Intrinsic 2D-XY ferromagnetism in a van der Waals monolayer
• Charge-spin correlation in van der Waals antiferromagenet NiPS3
• Highly Anisotropic Excitons and Multiple Phonon Bound States in a Van der Waals Antiferromagnetic Insulator
• Magnetoelectric MnPS3 thiophosphate as a new candidate for ferrotoroidicity
• Spin-Induced Linear Polarization of Excitonic Emission in Antiferromagnetic van der Waals Crystals
• A polymorphous band structure model of gapping in the anti-ferromagnetic and paramagnetic phases of the Mott insulators MnO, FeO, CoO, and NiO
• Controlling the anisotropy of a van der Waals antiferromagnet with light
• 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)
• Magnon-polarons in van der Waals antiferromagnet FePS3
• Highly sensitive spin-flop transition in antiferromagnetic van-der Waals material MPS3 (M = Ni and Mn)
• Gate-tunable exchange bias effect in FePS3-Fe5GeTe2 van der Waals heterostructures
• Limited ferromagnetic interactions in monolayers of MPS${}_3$ (M=Mn, Ni)
• Thickness dependence of electronic structure and optical properties of a correlated van der Waals antiferromagnet NiPS${}_3$ thin film
• Magnetically propagating Hund's exciton in van der Waals antiferromagnet NiPS3
• Progress and Prospects in Two-Dimensional Magnetism of van der Waals Materials
• Paramagnetic Electronic Structure of CrSBr: Comparison between Ab Initio GW Theory and Angle-Resolved Photoemission Spectroscopy
• Correlations in the Electronic Structure of van der Waals NiPS${}_3$ Crystals: An X-Ray Absorption and Resonant Photoelectron Spectroscopy Study
• Spin wave Hamiltonian and anomalous scattering in NiPS${}_3$
• Electronic band structure changes across the antiferromagnetic phase transition of exfoliated MnPS${}_3$ probed by $\mu$-ARPES
• Dimensionality crossover to 2D vestigial nematicity from 3D zigzag antiferromagnetism in an XY-type honeycomb van der Waals magnet
• Identifying band structure changes of FePS3 across the antiferromagnetic phase transition
• Distinct Optical Excitation Mechanisms of a Coherent Magnon in a van der Waals Antiferromagnet

Cited by in corpus (1)

• Momentum-Resolved Electronic Structure and Orbital Hybridization in the Layered Antiferromagnet CrPS${}_4$