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arXiv 1704.04867cond-mat.supr-con
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多层铜氧化物中电子关联引起的自掺杂效应

Self-doping effect arising from electron correlations in multi-layer cuprates

Kazutaka Nishiguchi, Shingo Teranishi, Koichi Kusakabe

摘要:

研究了多层铜氧化物超导体中外、内CuO $_2$面(OP和IP)之间的自掺杂效应。当考虑从第一原理计算得到的基于Hg的三层铜酸盐的三层紧束缚模型时,与IP相比,OP中的电子浓度变大。这是不一致的实验事实,即更多的空穴载流子往往被引入到OP比IP。我们研究了三层哈伯德模型与两个粒子的自洽方法的多层系统,将电子相关。我们观察到,在IP中的双占有率(反铁磁不稳定性)减少(增加)比OP,也揭示了更多的电子往往被引入到IP比OP获得现场哈伯德相互作用的能量增益。这些结果与实验事实是一致的,这种OP和IP之间的电子分布可以解释为一个自掺杂效应所产生的强电子关联。

英文摘要:

A self-doping effect between outer and inner CuO$_2$ planes (OPs and IPs) in multi-layer cuprate superconductors is studied. When one considers a three-layer tight-binding model of the Hg-based three-layer cuprate derived from the first principle calculations, the electron concentration gets to be large in the OP compared to IP. This is inconsistent with the experimental fact that more hole carriers tend to be introduced into the OP than IP.We investigate a three-layer Hubbard model with the two-particle self-consistent approach for multi-layer systems to incorporate electron correlations. We observe that the double occupancy (antiferromagnetic instability) in the IP decreases (increases) more than the OP, and also reveal that more electrons tend to be introduced into the IP than OP to obtain the energy gain from the on-site Hubbard interaction. These results are consistent with the experimental facts, and this electron distribution between the OP and IP can be interpreted as a self-doping effect arising from strong electron correlations.

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