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arXiv 0808.3167cond-mat.str-el
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半填充时t-t '-t'-U哈伯德模型的低能理论:铜氧化物超导体中的相互作用强度和La_2CuO_4的有效自旋描述

Low energy theory of the t-t'-t''-U Hubbard Model at half-filling: interaction strengths in cuprate superconductors and an effective spin-only description of La_2CuO_4

J. -Y. P. Delannoy, M. J. P. Gingras, P. C. W. Holdsworth, A. -M. S. Tremblay

摘要:

半填充单能带哈伯德模型的自旋描述适用于大范围的莫特绝缘体。除了通常的海森堡交换,许多新类型的相互作用,包括环交换,出现在中间耦合制度的有效哈密顿量。为了改善铜氧化物(铜酸盐)材料绝缘反铁磁相磁激发的定量描述,并与这些系统的能带结构计算和光电子发射实验相一致,我们将第二和第三近邻跳跃参数t'和t“纳入Hubbard哈密顿量中.利用幺正变换方法,系统地求出了唯自旋表象中的有效哈密顿量和任意算符。结果包括所有封闭的,四跳电子途径的正则变换。该方法产生了许多环交换条款,发挥了重要的作用,在比较与实验上的La 2CuO 4。进行自旋波分析,我们计算了磁振子色散作为U,t,t'和t“的函数。通过将磁振子色散拟合到Coldea等人的实验结果来估计这四个参数。86,5377,{2001}]。环交换条款被发现是必不可少的,特别是要确定的相对符号的t'和t“,与独立的理论和实验估计的铜酸盐家族的其他成员的值在良好的协议。利用这些参数计算了零温亚晶格磁化强度,也发现与Lee等人[Phys.Rev.B60,3643(1999)]估计的实验值非常一致。我们发现相互作用强度U~ 8 t的值与Mott绝缘行为一致。

英文摘要:

Spin-only descriptions of the half-filled one-band Hubbard model are relevant for a wide range of Mott insulators. In addition to the usual Heisenberg exchange, many new types of interactions, including ring exchange, appear in the effective Hamiltonian in the intermediate coupling regime. In order to improve on the quantitative description of magnetic excitations in the insulating antiferromagnetic phase of copper-oxide (cuprate) materials, and to be consistent with band structure calculations and photoemission experiments on these systems, we include second and third neighbor hopping parameters, t' and t'', into the Hubbard Hamiltonian. A unitary transformation method is used to find systematically the effective Hamiltonian and any operator in the spin-only representation. The results include all closed, four hop electronic pathways in the canonical transformation. The method generates many ring exchange terms that play an important role in the comparison with experiments on La2CuO4. Performing a spin wave analysis, we calculate the magnon dispersion as a function of U,t,t' and t''. The four parameters are estimated by fitting the magnon dispersion to the experimental results of Coldea et al. [Phys. Rev. Lett. 86, 5377, {2001}] for La2CuO4. The ring exchange terms are found essential, in particular to determine the relative sign of t' and t'', with the values found in good agreement with independent theoretical and experimental estimates for other members of the cuprate family. The zero temperature sublattice magnetization is calculated using these parameters and also found to be in good agreement with the experimental value estimated by Lee et al. [Phys. Rev. B 60, 3643 (1999)]. We find a value of the interaction strength U~8t consistent with Mott insulating behavior.

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