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Topological doping of repulsive Hubbard models

机译:排斥性Hubbard模型的拓扑掺杂

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The spin configuration induced by single holes and hole pairs doped into stoichiometric, antiferromagnetic cuprates is considered. Unrestricted Hartree-Fock calculations for the three-band Hubbard model are employed to study spinpolaron and vortex-like (meron) solutions. Meron solutions for a single hole are found to be metastable with higher energy than spin polarons. We observe that the meron solution shifts from site-centered to bond-centered as the interaction is increased. Meron-antimeron solutions for hole pairs are found to be unstable. The results are in agreement with earlier findings for the one-band Hubbard model. However, we find that the Hubbard interaction of the one-band model has to be chosen similar to the one of the three-band model to obtain comparable results, not of the order of the charge-transfer gap, as previously expected. (C) 2003 Elsevier B.V. All rights reserved. [References: 40]
机译:考虑了由单孔和掺杂成化学计量的反铁磁铜酸盐的孔对引起的自旋构型。使用三频带Hubbard模型的不受限制的Hartree-Fock计算来研究自旋极化子和类涡旋(meron)解。发现单孔的Meron解具有比自旋极化子更高的能量。我们观察到,随着相互作用的增加,瓜溶液从以位为中心转变为以键为中心。发现孔对的Meron-antimeron解不稳定。结果与单波段Hubbard模型的早期发现相符。但是,我们发现必须选择类似于三频带模型之一的单频带模型的Hubbard相互作用,以获得可比较的结果,而不是像以前预期的那样达到电荷转移间隙的数量级。 (C)2003 Elsevier B.V.保留所有权利。 [参考:40]

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