论文标题
与完整库仑相互作用的CO ATATOM中的近野筛选
Kondo screening in Co adatoms with full Coulomb interaction
论文作者
论文摘要
使用数值确切的第一原理多体方法，我们重新审视了铜上钴杂质的“原型”近代案例。即使这被认为是近托效应的一个充分理解的例子，我们揭示了筛选特性对局部库仑张量参数化的意外依赖性。结果，根据电子 - 电子相互作用的参数化的复杂性，近藤温度可能因数量级而变化。此外，我们挑战了一个既有$ 1 $时刻的既定图片，涉及两个钴$ d $ - 轨道，因为轨道混合互动术语增强了$ d $ shell的其余部分的贡献。
Using a numerically exact first-principles many-body approach, we revisit the "prototypical" Kondo case of a cobalt impurity on copper. Even though this is considered a well understood example of the Kondo effect, we reveal an unexpectedly strong dependence of the screening properties on the parametrization of the local Coulomb tensor. As a consequence, the Kondo temperature can vary by orders of magnitude depending on the complexity of the parametrization of the electron-electron interaction. Further, we challenge the established picture of a spin-$1$ moment involving two cobalt $d$-orbitals only, as orbital-mixing interaction terms boost the contribution of the remainder of the $d$-shell.
