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arXiv 0907.3422cond-mat.mes-hall
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原子纳米接触中近藤电导的第一性原理研究

Kondo Conductance in an Atomic Nanocontact from First Principles

Procolo Lucignano, Riccardo Mazzarello, Alexander Smogunov, Michele Fabrizio, Erio Tosatti

摘要:

原子金属接触的电导是探测纳米磁性的有力工具。电导通过零偏压下的异常反映磁性--通常是法诺线形--这是由于近藤屏蔽了桥接接触的磁性杂质。对这个简单的多体系统有一个完整的原子水平的理解是最重要的,特别是考虑到我们越来越需要通过磁性来控制纳米电流。令人遗憾的是,零偏压电导异常目前还不能从原子论的角度计算出来。在这封信中,我们展示了一个工作路线,连接近似,但定量的密度泛函理论(DFT)和数值重整化群(NRG)的方法,并导致第一原理的电导计算的纳米接触,例如在Au纳米线的Ni杂质。一个Fano样的电导线的形状得到显微镜下,并示出由杂质的s-能级的位置控制。我们还发现了电导异常和几何形状之间的关系,并揭示了相反的反铁磁和铁磁近藤屏蔽的可能性-后者表现出完全不同的和未探索的零偏置异常。目前DFT和NRG之间的匹配方法应该允许定量的理解和探索这种更大的各种近藤现象在更一般的磁性纳米接触。

英文摘要:

The electrical conductance of atomic metal contacts represents a powerful tool to detect nanomagnetism. Conductance reflects magnetism through anomalies at zero bias -- generally with Fano lineshapes -- due to the Kondo screening of the magnetic impurity bridging the contact. A full atomic-level understanding of this nutshell many-body system is of the greatest importance, especially in view of our increasing need to control nanocurrents by means of magnetism. Disappointingly, zero bias conductance anomalies are not presently calculable from atomistic scratch. In this Letter we demonstrate a working route connecting approximately but quantitatively density functional theory (DFT) and numerical renormalization group (NRG) approaches and leading to a first-principles conductance calculation for a nanocontact, exemplified by a Ni impurity in a Au nanowire. A Fano-like conductance lineshape is obtained microscopically, and shown to be controlled by the impurity s-level position. We also find a relationship between conductance anomaly and geometry, and uncover the possibility of opposite antiferromagnetic and ferromagnetic Kondo screening -- the latter exhibiting a totally different and unexplored zero bias anomaly. The present matching method between DFT and NRG should permit the quantitative understanding and exploration of this larger variety of Kondo phenomena at more general magnetic nanocontacts.

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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