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arXiv 1107.4141cond-mat.str-elcond-mat.supr-con
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掺杂反铁磁体的计算方法:轻掺杂CuO $_2$平面中两个自旋极化子之间的关联

A computational approach to a doped antiferromagnet: correlations between two spin-polarons in the lightly doped CuO$_2$ plane

Bayo Lau, Mona Berciu, George. A. Sawatzky

摘要:

我们扩展了最近在物理学评论快报中介绍的方法。106 036401(2011)研究了准二维CuO 2层中两个自旋极化子之间的相关性。低能量波函数的两个掺杂孔引入半填充的CuO 2平面与32个铜和64个氧的网站明确计算使用一个高效而准确的截断计划来模拟反铁磁背景。能量学和波函数表明,电荷形成三自旋极化子,自旋由围绕三自旋极化子核的扰动携带。低能带是由动能和有利于d(x^2-y^2)态的局部吸引势之间的竞争产生的。最后,我们指出的功能,预计将是强大的大型系统。

英文摘要:

We extend the methods recently introduced in Phys. Rev. Lett. 106 036401 (2011) to investigate correlations between two spin-polarons in a quasi-two-dimensional CuO2 layer. The low-energy wavefunctions for two doped holes introduced in a half-filled CuO2 plane with 32 copper and 64 oxygen sites are calculated explicitly using an efficient yet accurate truncation scheme to model the antiferromagnet background. The energetics and wavefucntions show that the charges form three-spin polarons and the spin is carried by a disturbance around the three-spin polaron core. The low-energy band results from the competition between the kinetic energy and a local attractive potential which favors d(x^2-y^2) states. Lastly, we point out features that are expected to be robust for larger systems.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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