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arXiv 1105.5757cond-mat.str-el
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三角晶格上轨道简并体系的三聚体形成和金属-绝缘体转变

Trimer Formation and Metal-Insulator Transition in Orbital Degenerate Systems on a Triangular Lattice

Junki Yoshitake, Yukitoshi Motome

摘要:

作为一个典型的自组织系统中的轨道简并,我们理论上研究三聚体形成的三角形晶格,观察到的LiVO 2。从强关联极限下的有效自旋轨道耦合模型的分析,我们表明,以前提出的轨道有序的三聚体状态是不是有限的洪德规则耦合的最低能量状态。相反,探索基态在一个多轨道哈伯德模型的参数范围很广,我们发现一个不稳定性向一个不同的轨道有序的三聚体状态的中间关联制度在三角晶场的存在下。三聚体相出现在顺磁金属、带绝缘体和莫特绝缘体之间的竞争区域中。其基本机制是库仑相互作用和三角场分裂的协同效应导致的费米面的嵌套不稳定性。并与三角晶格化合物LiVX_2(X=O,S,Se)和NaVO_2的实验结果进行了比较。

英文摘要:

As a prototypical self-organization in the system with orbital degeneracy, we theoretically investigate trimer formation on a triangular lattice, as observed in LiVO2. From the analysis of an effective spin-orbital coupled model in the strong correlation limit, we show that the previously-proposed orbital-ordered trimer state is not the lowest-energy state for a finite Hund's-rule coupling. Instead, exploring the ground state in a wide range of parameters for a multiorbital Hubbard model, we find an instability toward a different orbital-ordered trimer state in the intermediately correlated regime in the presence of trigonal crystal field. The trimer phase appears in the competing region among a paramagnetic metal, band insulator, and Mott insulator. The underlying mechanism is nesting instability of the Fermi surface by a synergetic effect of Coulomb interactions and trigonal-field splitting. The results are compared with experiments in triangularlattice compounds, LiVX2 (X=O, S, Se) and NaVO2.

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