H $^-$与邻位纳米表面掠碰撞中的离子存活研究
Ion survival in grazing collisions of H$^-$ with vicinal nanosurfaces probes subband electronic structures
摘要：
我们用简单的Kronig-Penney方法研究了具有阶梯状邻位纳米结构的单晶Pd（111）表面的电子动力学。表面的未被占据的带被共振激发\textit{via}，表面与氢阴离子的共振电荷转移（RCT）相互作用以掠射角反射。采用量子机械波包传播方法对相互作用动力学进行了数值模拟。可视化的波包密度表明，当电子被转移到金属，表面和图像子带状态是最有可能的位置的电子，因为它通过超晶格演变。的相互作用的离子的生存概率表现出强烈的调制作为一个功能的邻近平台的大小，并显示在这些能量，访问图像状态的子带色散的峰值。一个简单的方井模型产生的表面上的步骤之间的驻波建议在浅角度的应用，这样的离子散射映射电子子结构在邻近的表面。这项工作也是我们的计算方法通过RCT解决具有纳米图案的表面的实用性的第一个原理证明。
英文摘要：
We study the electron dynamics at a monocrystalline Pd(111) surface with stepped vicinal nanostructures modeled in a simple Kronig-Penney scheme. The unoccupied bands of the surface are resonantly excited \textit{via} the resonant charge transfer (RCT) interaction of the surface with a hydrogen anion reflected at grazing angles. The interaction dynamics is simulated numerically in a quantum mechanical wave packet propagation approach. Visualization of the wave packet density shows that, when the electron is transferred to the metal, the surface and image subband states are the most likely locations of the electron as it evolves through the superlattice. The survival probability of the interacting ion exhibits strong modulations as a function of the vicinal-terrace size and shows peaks at those energies that access the image state subband dispersions. A simple square well model producing standing waves between the steps on the surface suggests the application of such ion-scattering at shallow angles to map electronic substructures in vicinal surfaces. The work also serves as the first proof-of-principle in the utility of our computational method to address, via RCT, surfaces with nanometric patterns.
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