Spin wave Hamiltonian and anomalous scattering in NiPS3

Here, we report a comprehensive spin wave analysis of the semiconducting honeycomb van der Waal antiferromagnet NiPS3. 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 th...

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Bibliographic Details
Published in:Physical review. B 2023-09, Vol.108 (10)
Main Authors: Scheie, Allen, Park, Pyeongjae, Villanova, Jack W., Granroth, Garrett E., Sarkis, Colin L., Zhang, Hao, Stone, Matthew B., Park, Je-Geun, Okamoto, Satoshi, Berlijn, Tom, Tennant, D. Alan
Format: Article
Language:English
Subjects:
antiferromagnetism
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
magnetism
neutron scattering
spin dynamics
Van der Waals systems
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Summary:Here, we report a comprehensive spin wave analysis of the semiconducting honeycomb van der Waal antiferromagnet NiPS3. 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-nearest-neighbor exchange J3 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 threefold 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.
ISSN:2469-9950
DOI:10.1103/PhysRevB.108.104402