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PreprintarXiv licencearXiv

Sizable Ligand-Mediated Bond-Dependent Interactions in a Spin-1 Triangular Antiferromagnet NiI2

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Abstract

The bond-dependent anisotropic Kitaev interactions are the key for the Kitaev model, which has attracted intense interest for its potential to host quantum-spin-liquid states and fractional excitations. However, experimental realizations of such interactions remain scarce. Here, we investigate the magnetic excitations of NiI2, a van der Waals magnet with spin S=1. By combining inelastic neutron scattering, magnetization measurements, magnetic structure analysis, first-principles calculations, and linear-spin-wave simulations, we identify a minimal model that features substantial Kitaev and off-diagonal Γ interactions, which together stabilize the canted magnetic ground state and open a gap in the spin-wave spectrum. Notably, these interactions arise from strong spin-orbit coupling on the ligand ions, despite the quenched orbital moment of the magnetic Ni2+ ions. Our results provide compelling experimental evidence for the ligand-driven Kitaev mechanism. This demonstrates a concrete pathway to generating strong bond-dependent anisotropy in systems where the magnetic ions themselves have weak spin-orbit coupling, thereby substantially broadening the range of potential Kitaev materials.

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BibTeX
@misc{xu2026sizable,
  title = {{Sizable Ligand-Mediated Bond-Dependent Interactions in a Spin-1 Triangular Antiferromagnet NiI$_2$}},
  author = {Hao Xu and Weiqin Zhu and Shufan Cheng and Yanyan Shangguan and Song Bao and Junbo Liao and Bo Zhang and Zihang Song and Shuai Dong and Maofeng Wu and Stanislav E. Nikitin and Travis J. Williams and Changsong Xu and Jinsheng Wen},
  howpublished = {arXiv},
  year = {2026},
  month = jul,
  doi = {10.48550/arxiv.2607.14893},
  eprint = {2607.14893},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2607.14893},
}
RIS
TY  - UNPB
TI  - Sizable Ligand-Mediated Bond-Dependent Interactions in a Spin-1 Triangular Antiferromagnet NiI_2
AU  - Hao Xu
AU  - Weiqin Zhu
AU  - Shufan Cheng
AU  - Yanyan Shangguan
AU  - Song Bao
AU  - Junbo Liao
AU  - Bo Zhang
AU  - Zihang Song
AU  - Shuai Dong
AU  - Maofeng Wu
AU  - Stanislav E. Nikitin
AU  - Travis J. Williams
AU  - Changsong Xu
AU  - Jinsheng Wen
PY  - 2026
DA  - 2026/07/16
PB  - arXiv
DO  - 10.48550/arxiv.2607.14893
UR  - https://arxiv.org/abs/2607.14893
AB  - The bond-dependent anisotropic Kitaev interactions are the key for the Kitaev model, which has attracted intense interest for its potential to host quantum-spin-liquid states and fractional excitations. However, experimental realizations of such interactions remain scarce. Here, we investigate the magnetic excitations of NiI_2, a van der Waals magnet with spin S=1. By combining inelastic neutron scattering, magnetization measurements, magnetic structure analysis, first-principles calculations, and linear-spin-wave simulations, we identify a minimal model that features substantial Kitaev and off-diagonal Γ interactions, which together stabilize the canted magnetic ground state and open a gap in the spin-wave spectrum. Notably, these interactions arise from strong spin-orbit coupling on the ligand ions, despite the quenched orbital moment of the magnetic Ni^2+ ions. Our results provide compelling experimental evidence for the ligand-driven Kitaev mechanism. This demonstrates a concrete pathway to generating strong bond-dependent anisotropy in systems where the magnetic ions themselves have weak spin-orbit coupling, thereby substantially broadening the range of potential Kitaev materials.
ER  -