论文标题
CO ADATOM（100）表面上的CO ADATOM中的自旋轨道耦合和近共振：DFT+ED研究
Spin-orbit coupling and Kondo resonance in Co adatom on Cu(100) surface: DFT+ED study
论文作者
论文摘要
我们报告了密度功能理论以及在Cu（001）表面顶部的CO ADATOM的多功能Anderson杂质模型计算的精确对角线化。对于Co Atom $ d $ -shell职业$ n_d \ $ 8，当计算中包含旋转轨道耦合时，发现单体多体的基态状态和近托共鸣。与扫描调节显微镜测量值一致地评估了差分电导。结果说明了旋转轨道耦合在低维度中多轨道杂质的近野曲棍球形成中扮演的重要作用。
We report density functional theory plus exact diagonalization of the multi-orbital Anderson impurity model calculations for the Co adatom on the top of Cu(001) surface. For the Co atom $d$-shell occupation $n_d \approx$ 8, a singlet many-body ground state and Kondo resonance are found, when the spin-orbit coupling is included in the calculations. The differential conductance is evaluated in a good agreement with the scanning tuneling microscopy measurements. The results illustrate the essential role which the spin-orbit coupling is playing in a formation of Kondo singlet for the multi-orbital impurity in low dimensions.
