标题： Cr(001)表面的多体效应：LDA+DMFT研究 显示英文标题

标题： Many-body effects on Cr(001) surfaces: An LDA+DMFT study

摘要： 铬(001)表面在其费米能级处的尖锐共振是许多实验和理论研究中存在争议的问题。 迄今为止，这一共振的起源是轨道Kondo效应还是电子-声子耦合效应尚不清楚。 我们结合了从头算密度泛函计算与动态平均场模拟，以计算铬(001)表面的轨道分辨谱函数。 计算得到的轨道特征和谱图形状与（反）光电子能谱实验数据一致。 我们发现动态电子关联对表面电子结构有重要影响，并在$d_{z^2}$和$d_{xz/yz}$轨道中导致低能共振。 我们的结果有助于统一来自（I）PES和STM测量的有争议的实验结果。 显示英文摘要

摘要： The electronic structure of the Cr(001) surface with its sharp resonance at the Fermi level is a subject of controversial debate of many experimental and theoretical works. To date, it is unclear whether the origin of this resonance is an orbital Kondo or an electron-phonon coupling effect. We have combined ab initio density functional calculations with dynamical mean-field simulations to calculate the orbitally resolved spectral function of the Cr(001) surface. The calculated orbital character and shape of the spectrum is in agreement with data from (inverse) photoemission experiments. We find that dynamic electron correlations crucially influence the surface electronic structure and lead to a low energy resonance in the $d_{z^2}$ and $d_{xz/yz}$ orbitals. Our results help to reconvene controversial experimental results from (I)PES and STM measurements.