Semiclassical Routes to the $α$-RuCl$_3$ Scattering Continuum via Model Meta$-$Analysis
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arXiv
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| Natura: | Preprint |
| Pubblicazione: |
2026
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| _version_ | 1866914321212112896 |
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| author | Kim, Chaebin Mourigal, Martin |
| author_facet | Kim, Chaebin Mourigal, Martin |
| contents | $α$-RuCl$_3$ is a leading material for proximate Kitaev magnetism. We address the origin of the broad, $Γ$-point centered excitation continuum observed by inelastic neutron scattering at elevated temperatures in this compound. Using stochastic Landau-Lifshitz dynamics augmented with quantum-equivalent corrections, we reproduce the temperature-dependent dynamical spin structure factor across both the correlated and conventional paramagnetic regimes. A meta-analysis of 38 published exchange parameter sets identifies those most consistent with the full temperature evolution. A Bayesian optimization procedure is used to derive parameters that capture the low-energy star-like momentum dependence and the overall bandwidth of the continuum. Rescaling temperatures by the Curie--Weiss scale produces a collapse of spectral measures, demonstrating that the high-$T$ dynamics are governed by correlated paramagnetism below $θ_{\mathrm{CW}}$ rather than by the Kitaev crossover to fractionalized excitations. Complementary 24-site exact diagonalization clarifies finite-size systematics at low temperature and the proximity to zigzag/incommensurate ordering. Beyond $α$-RuCl$_3$, our simulation pipeline provides a reproducible, data-driven framework to infer effective spin models in magnets that exhibit broad continua. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2602_10190 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Semiclassical Routes to the $α$-RuCl$_3$ Scattering Continuum via Model Meta$-$Analysis Kim, Chaebin Mourigal, Martin Materials Science Strongly Correlated Electrons $α$-RuCl$_3$ is a leading material for proximate Kitaev magnetism. We address the origin of the broad, $Γ$-point centered excitation continuum observed by inelastic neutron scattering at elevated temperatures in this compound. Using stochastic Landau-Lifshitz dynamics augmented with quantum-equivalent corrections, we reproduce the temperature-dependent dynamical spin structure factor across both the correlated and conventional paramagnetic regimes. A meta-analysis of 38 published exchange parameter sets identifies those most consistent with the full temperature evolution. A Bayesian optimization procedure is used to derive parameters that capture the low-energy star-like momentum dependence and the overall bandwidth of the continuum. Rescaling temperatures by the Curie--Weiss scale produces a collapse of spectral measures, demonstrating that the high-$T$ dynamics are governed by correlated paramagnetism below $θ_{\mathrm{CW}}$ rather than by the Kitaev crossover to fractionalized excitations. Complementary 24-site exact diagonalization clarifies finite-size systematics at low temperature and the proximity to zigzag/incommensurate ordering. Beyond $α$-RuCl$_3$, our simulation pipeline provides a reproducible, data-driven framework to infer effective spin models in magnets that exhibit broad continua. |
| title | Semiclassical Routes to the $α$-RuCl$_3$ Scattering Continuum via Model Meta$-$Analysis |
| topic | Materials Science Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2602.10190 |