Spin wave Hamiltonian and anomalous scattering in NiPS${}_3$

Abstract

We report a comprehensive spin wave analysis of the semiconducting honeycomb van der Waal antiferromagnet NiPS${}_3$. Using single crystal inelastic neutron scattering, we map out the full Brillouin zone and fit the observed modes to a spin wave model with rigorously defined uncertainty. We find that the third neighbor exchange $J_3$ dominates the Hamiltonian, a feature which we fully account for by ab-initio density functional theory calculations. We also quantify the degree to which the three-fold rotation symmetry is broken and account for the $Q=0$ excitations observed in other measurements, yielding a spin exchange model which is consistent across multiple experimental probes. We also identify a strongly reduced static ordered moment and reduced low-energy intensity relative to the linear spin wave calculations, signaling unexplained features in the magnetism which requires going beyond the linear spin wave approximation.

arXiv comment7 pages, 8 figures; 8 pages and 10 additional figures of appendices

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• Quantum Fluctuations in the van der Walls material $\mathrm{NiP}{\mathrm{S}}_3$
• Exciton-spin interactions in antiferromagnetic charge-transfer insulators
• Probing the band structure of the strongly correlated antiferromagnet NiPS3 across its phase transition
• Thermally-induced mimicry of quantum cluster excitations and implications for the magnetic transition in FePSe${}_3$
• Long-range magnetic order with disordered spin orientations in a high-entropy antiferromagnet
• Crucial role of magnetic dipole and anomalous field dependence in $\mathrm{NiP}{\mathrm{S}}_3$
• Van der Waals Antiferromagnets: From Early Discoveries to Future Directions in the 2D Limit
• Magnetic Field-Tunable Repulsive Exciton-Exciton Interaction in the van der Waals Antiferromagnet NiPS${}_3$
• Stabilization of zigzag order in NiPS${}_3$ via positive biquadratic interaction
• Ultrafast Dynamics of Spin-Orbit Entangled Excitons Coupled to Magnetic Ordering in van der Waals Antiferromagnet NiPS3
• Spin Wave Dispersion of the van der Waals Antiferromagnet NiPS${}_3$