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Direct observation of the Mottness and p-d orbital hybridization in the epitaxial monolayer α-RuCl3f

机译:直接观察外延单层 α-RuCl3f 中的 Mottness 和 p-d 轨道杂化

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α-RuCl3,a promising material to accomplish the Kitaev honeycomb model,has attracted enormous interest recently.Mottness and p-d bonds play vital roles in generating Kitaev interactions and underpinning the potential exotic states of quantum magnets,and the van der Waals monolayer is considered to be a better platform to approach a two-dimensional Kitaev model than the bulk.Here,we worked out the growth art of an α-RuCl3 monolayer on a graphite substrate and studied its electronic structure,particularly the delicate orbital occupations,through scanning tunneling microscopy and spectroscopy.An in-plane lattice expansion of 2.67 ± 0.83 is observed and the pronounced t_(2g)-pπ and eg-pσ hybridization are visualized.The Mott nature is unveiled by an ~0.6 eV full gap at the Fermi level located inside the t2g-pπ manifold which is further verified by the density functional theory calculations.The monolayer phase of α-RuCl3 fulfills the a priori criteria of recent theoretical predictions of tuning the relevant properties in this material and provides a novel platform to explore the Kitaev physics.
机译:α-RuCl3是一种很有前途的基塔耶夫蜂窝模型材料,近年来引起了人们的极大兴趣。Mottness 和 p-d 键在产生 Kitaev 相互作用和支撑量子磁体的潜在奇异状态中起着至关重要的作用,范德华单层被认为是比体更好的二维 Kitaev 模型平台。本文研究了α-RuCl3单层在石墨衬底上的生长技术,并通过扫描隧道显微镜和光谱学研究了其电子结构,特别是精细的轨道分布。观察到2.67±0.83%的面内晶格膨胀,并观察到明显的t_(2g)-pπ和eg-pσ杂化。位于t2g-pπ流形内部的费米能级的~0.6 eV全间隙揭示了莫特性质,密度泛函理论计算进一步验证了该性质。α-RuCl3的单层相满足了近年来理论预测的先验标准,为探索Kitaev物理提供了新的平台。

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