The Saga of $\alpha$-RuCl$_3$: Parameters, Models, and Phase Diagrams
Abstract
RuCl was likely the first ever deliberately synthesized ruthenium compound, following the discovery of the Ru element in 1844. For a long time it was known as an oxidation catalyst, with its physical properties being discrepant and confusing, until a decade ago when its allotropic form -RuCl rose to exceptional prominence. This "re-discovery" of -RuCl has not only reshaped the hunt for a material manifestation of the Kitaev spin liquid, but it has opened the floodgates of theoretical and experimental research in the many unusual phases and excitations that the anisotropic-exchange magnets as a class of compounds have to offer. Given its importance for the field of Kitaev materials, it is astonishing that the low-energy spin model that describes this compound and its possible proximity to the much-desired spin-liquid state is still a subject of significant debate ten years later. In the present study, we argue that the existing key phenomenological observations put strong natural constraints on the effective microscopic spin model of -RuCl, and specifically on its spin-orbit-induced anisotropic-exchange parameters that are responsible for the non-trivial physical properties of this material. These constraints allow one to focus on the relevant region of the multi-dimensional phase diagram of the -RuCl model, suggest an intuitive description of it via a different parametrization of the exchange matrix, offer a unifying view on the earlier assessments of its parameters, and bring closer together several approaches to the derivation of anisotropic-exchange models. We explore extended phase diagrams relevant to the -RuCl parameter space using quasi-classical, Luttinger-Tisza, exact diagonalization, and density-matrix renormalization group methods, demonstrating a remarkably c... (arxiv cutoff; for the rest, see the paper)
Cite
@article{arxiv.2502.08698,
title = {The Saga of $\alpha$-RuCl$_3$: Parameters, Models, and Phase Diagrams},
author = {Marius Möller and P. A. Maksimov and Shengtao Jiang and Steven R. White and Roser Valenti and A. L. Chernyshev},
journal= {arXiv preprint arXiv:2502.08698},
year = {2025}
}
Comments
39 pages, 28 Figures. Text of immense pedagogical power. Published under different title. Winner of the PRB beauty award (Editor's Suggestion)