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Doubly degenerate orbital system in honeycomb lattice: Implication of orbital state in layered iron oxide

机译:蜂窝晶格中的双简并轨道系统:层状氧化铁中轨道状态的含意

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We study a doubly degenerate orbital model on a honeycomb lattice. This is a model for orbital states in multiferroic layered iron oxides. The classical and quantum models are analyzed by spin-wave approximation, Monte Carlo simulation, and Lanczos method. A macroscopic number of degeneracy exists in the classical ground state. In the classical model, a peak in the specific heat appears at a temperature which is much lower than the mean-field ordering one. Below this temperature, the angle of orbital pseudospin is fixed, but conventional orbital orders are not suggested. The degeneracy in the ground state is partially lifted by thermal fluctuation. We suggest a role of zero-dimensional fluctuation in hexagons on a low-temperature orbital structure. Lifting of the degeneracy also occurs at zero temperature due to the quantum zero-point fluctuation. We show that the ground-state wave function is well represented by a linear combination of the states where a honeycomb lattice is covered by nearest-neighboring pairs of orbitals with the minimum bond energy.
机译:我们研究了蜂窝晶格上的双重简并轨道模型。这是多铁性层状氧化铁中轨道状态的模型。通过自旋波逼近,蒙特卡罗模拟和Lanczos方法分析经典模型和量子模型。在经典基态中存在大量的简并性。在经典模型中,比热的峰值出现在比均场有序温度低得多的温度下。在此温度以下,轨道假自旋的角度是固定的,但不建议使用常规的轨道顺序。基态的简并性由于热波动而部分消除。我们建议在低温轨道结构上六边形零维波动的作用。由于量子零点波动,在零温度下也会发生简并性的提升。我们表明,基态波函数很好地表示为状态的线性组合,其中蜂窝晶格被具有最小键能的最近邻轨道对覆盖。

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