论文标题
AR/CO（0001）和AR/FE（110）接口的自旋依赖性电子传递动力学理论
Theory of Spin-Dependent Electron Transfer Dynamics at Ar/Co(0001) and Ar/Fe(110) Interfaces
论文作者
论文摘要
最近的核心锁定实验[物理学。莱特牧师。 $ \ textbf {112} $，086801（2014）]表明，AR/CO（0001）和AR/FE（110）接口在AR/CO（0001）和AR/FE（110）接口的旋转依赖性与基于先前的相关系统计算的预期有所不同。在这里，我们调和理论和实验，并证明观察到的依赖性植根于自旋分裂表面带结构的细节。我们的从头算计算是，根据实验报告的超短注射时间，少数电子的注入速度明显快于多数电子。该动力学对在谐振能量的两个基板上的投影带隙的大小（相互空间）尤其敏感。一个结合自旋依赖性间隙大小的简单隧道模型进一步支持了这些发现。
Recent core-hole-clock experiments [Phys. Rev. Lett. $\textbf{112}$, 086801 (2014)] showed that the spin dependence of electron injection times at Ar/Co(0001) and Ar/Fe(110) interfaces is at variance with the expectations based on previous calculations for related systems. Here we reconcile theory and experiment, and demonstrate that the observed dependence is rooted in the details of the spin-split surface band structures. Our ab initio calculations back that minority electrons are injected significantly faster than majority electrons in line with the experimentally reported ultrashort injection times. The dynamics is particularly sensitive to the size (in reciprocal-space) of the projected band gaps around $\overlineΓ$ for both substrates at the resonance energies. A simple tunneling model incorporating the spin-dependent gap sizes further supports these findings.
