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arXiv 1106.3104cond-mat.mes-hallcond-mat.other
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用密度泛函理论精确给出近藤效应

Kondo effect given exactly by density functional theory

Justin P. Bergfield, Zhenfei Liu, Kieron Burke, Charles A. Stafford

摘要:

通过安德森结(两个宏观电极耦合到安德森杂质)的运输是由近藤峰在零温度下的光谱函数。密度泛函理论的精确单粒子Kohn-Sham势精确地再现了线性输运,尽管其谱函数中缺少Kondo峰。使用Bethe的anomaly技术,我们精确地计算这个潜在的所有耦合强度,包括交叉从平均场行为的电荷量子化所造成的导数不连续性。文中还给出了一个简单而精确的插值公式。

英文摘要:

Transport through an Anderson junction (two macroscopic electrodes coupled to an Anderson impurity) is dominated by a Kondo peak in the spectral function at zero temperature. The exact single-particle Kohn-Sham potential of density functional theory reproduces the linear transport exactly, despite the lack of a Kondo peak in its spectral function. Using Bethe ansatz techniques, we calculate this potential exactly for all coupling strengths, including the cross-over from mean-field behavior to charge quantization caused by the derivative discontinuity. A simple and accurate interpolation formula is also given.

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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