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首页> 外文期刊>Nuclear Instruments & Methods in Physics Research. B, Beam Interactions with Materials and Atoms >Computer simulation of low-energy electronic excitations in atomic collision cascades
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Computer simulation of low-energy electronic excitations in atomic collision cascades

机译：原子碰撞级联中低能电子激发的计算机模拟

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摘要

We present a computer simulation of low-energy electronic excitations that are created in atomic collision cascades initiated by the impact of energetic particles onto a solid surface. In order to render a chemically inert system, the self-bombardment of a silver (111) surface with Ag atoms is simulated. In the model, the atomic motion following the particle impact is described by a classical molecular dynamics approach. The transfer of kinetic into electronic excitation energy is described in terms of a friction-like electronic energy loss experienced by every moving atom in the solid, thus leading to a space and time dependent density of electron-hole pair excitation energy generated in the course of the collision cascade. This energy is assumed to spread around the point of original excitation with a diffusion coefficient D and to equipartition in the Ag sp band according to a Fermi distribution characterized by an electronic temperature T_e(r,t). It is shown that for reasonable values of D the electronic energy deposited at the surface can be substantial, thus leading to transient electronic surface temperatures reaching several thousands of Kelvin which, for instance, can influence the ionization probabilities of sputtered atoms.
机译：我们介绍了低能电子激发的计算机模拟，该激发是在原子碰撞级联中产生的，该碰撞是由高能粒子撞击到固体表面上引发的。为了形成化学惰性系统，模拟了银原子（111）与银原子的自轰击。在模型中，通过经典的分子动力学方法描述了粒子撞击后的原子运动。用固体中每个运动原子经历的类似摩擦的电子能量损失来描述动力学到电子激发能的转移，从而导致在运动过程中产生的电子-空穴对激发能的时空密度依赖性碰撞级联。假定该能量根据具有电子温度T_e（r，t）的费米分布，以扩散系数D围绕原始激发点扩散，并在Ag sp波段中均分。结果表明，对于D的合理值，沉积在表面的电子能量可能很大，从而导致瞬态电子表面温度达到数千开尔文，例如，这可能会影响溅射原子的电离几率。

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