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arXiv 2104.07087cond-mat.supr-con
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氧空穴含量、电荷转移能隙、共价性和铜氧化物超导性

Oxygen hole content, charge-transfer gap, covalency, and cuprate superconductivity

N. Kowalski, S. S. Dash, D. Sénéchal, A. -M. S. Tremblay

摘要:

实验已经表明,在最佳掺杂下具有最大转变温度的铜酸盐超导体家族在该掺杂下也具有最大的氧空穴含量。他们还表明,在正常状态下可获得的大的电荷转移间隙对超导性是有害的。我们解决了三带哈伯德模型与细胞动力学平均场论,并表明,这两个观察遵循的模型。铜酸盐在掺杂的过渡金属氧化物的电荷转移绝缘体中起着特殊的作用,因为铜与氧具有最大的共价键。

英文摘要:

Experiments have shown that the families of cuprate superconductors that have the largest transition temperature at optimal doping also have the largest oxygen hole content at that doping. They have also shown that a large charge-transfer gap, a quantity accessible in the normal state, is detrimental to superconductivity. We solve the three-band Hubbard model with cellular dynamical mean-field theory and show that both of these observations follow from the model. Cuprates play a special role amongst doped charge-transfer insulators of transition metal oxides because copper has the largest covalent bonding with oxygen.

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