RuCl$_3$磁性体系中的最佳点：压力下近乎理想的$j_{\text{eff}}=1/2$矩与最大化的$K/J$比值
Sweet spot in the RuCl$_3$ magnetic system: nearly ideal $j_{\mathrm{eff}}\!=\!1/2$ moments and maximized $K/J$ ratio under pressure
AI总结：
本研究针对Kitaev-Heisenberg量子磁体中最大化Kitaev与Heisenberg相互作用比值的目标，通过量子化学计算发现高压下RuCl₃新晶相的K/J比值约100，且近乎理想jₑff=1/2矩，为实现Kitaev自旋液相提供了高潜力材料平台。
摘要：
最大化Kitaev相互作用与剩余Heisenberg相互作用的比值是当前Kitaev-Heisenberg量子磁体研究的核心目标。本文研究了近期发现的RuCl$_3$高压晶相中的Kitaev-Heisenberg交换作用——该晶相具有异常高的对称性，仅存在一种Ru-Ru键，且Ru-Cl-Ru键角均匀，约为93°。通过在这种特殊蜂窝晶格结构下开展量子化学计算，我们发现$J$值极小，使得$K/J$比值高达约100。有趣的是，我们还发现这一特性与可忽略的$d$壳层三角劈裂相关，即与理想$j_{\text{eff}}=1/2$矩的偏离极小。该研究再次证实RuCl$_3$是实现备受关注的Kitaev自旋液相的极具潜力的平台，并推动了应变与压力条件下的进一步实验研究。
英文摘要：
Maximizing the ratio between Kitaev and residual Heisenberg interactions is a major goal in nowadays research on Kitaev-Heisenberg quantum magnets. Here we investigate Kitaev-Heisenberg exchange in a recently discovered crystalline phase of RuCl$_3$ under presure -- it displays unusually high symmetry, with only one type of Ru-Ru links, and uniform Ru-Cl-Ru bond angles of $\approx$93$^{\circ}$. By quantum chemical calculations in this particular honeycomb-lattice setting we find a very small $J$, which yields a $K/J$ ratio as large as $\sim$100. Interestingly, we also find that this is associated with vanishingly small $d$-shell trigonal splittings, i.\,e., minimal departure from ideal $j_{\mathrm{eff}}\!=\!1/2$ moments. This reconfirms RuCl$_3$ as a most promising platform for materializing the much sought-after Kitaev spin-liquid phase and stimulates further experiments under strain and pressure.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
