Jeff Description of the Honeycomb Mott Insulator α-RuCl3
Jeff Description of the Honeycomb Mott Insulator α-RuCl3
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DOI：
10.1103/physrevlett.117.126403
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发表时间：
2016-09-16
影响因子：
8.6
通讯作者：
Doert, Th.
中科院分区：
文献类型：
--
作者：
Koitzsch, A.;Habenicht, C.;Doert, Th.
新的基态可能在具有强自旋轨道耦合的蜂窝晶格中实现。在这里，我们通过密度泛函理论和多重态计算支持的角分辨光电子发射、X射线光电子发射和电子能量损失光谱研究了α-RuCl3的电子结构，其中Ru离子处于d(5)构型并形成蜂窝晶格。我们发现α-RuCl3是一种具有显着自旋轨道耦合的莫特绝缘体，其低能电子结构自然映射到J(eff)态。这使得 α-RuCl3 成为实现基塔耶夫物理的有希望的候选者。评估了相关电子参数，例如哈伯德能量 U、晶体场分裂 10 Dq 和电荷转移能量 Delta。
Novel ground states might be realized in honeycomb lattices with strong spin-orbit coupling. Here we study the electronic structure of alpha-RuCl3, in which the Ru ions are in a d(5) configuration and form a honeycomb lattice, by angle-resolved photoemission, x-ray photoemission, and electron energy loss spectroscopy supported by density functional theory and multiplet calculations. We find that alpha-RuCl3 is a Mott insulator with significant spin-orbit coupling, whose low energy electronic structure is naturally mapped onto J(eff) states. This makes alpha-RuCl3 a promising candidate for the realization of Kitaev physics. Relevant electronic parameters such as the Hubbard energy U, the crystal field splitting 10 Dq, and the charge transfer energy Delta are evaluated.