重离子电子阻止中的芯电子
Core electrons in the electronic stopping of heavy ions
摘要：
\(\mathrm{keV/Å}\)范围内的电子阻止本领是根据第一原理精确计算的。利用实时含时密度泛函理论研究了典型过渡金属镍自辐照过程中电子的能量损失。不同的核心状态明确包括在模拟中，以了解他们参与的耗散机制。在\(1.0 - 12.0~\mathrm{atomic~units}\)的弹丸速度范围内，实验数据得到了很好的再现。随着弹丸速度的增加，弹丸的核心电子会打开额外的耗散通道。几乎所有的能量损失占，即使是高弹丸速度时，核心电子深\(2s\)明确处理。除了他们预期的激发在高速下，在中间的弹丸速度观察到的核心电子的扑动动力学响应。
英文摘要：
Electronic stopping power in the \(\mathrm{keV/Å}\) range is accurately calculated from first principles. The energy loss to electrons in self-irradiated nickel, a paradigmatic transition metal, using real-time time-dependent density functional theory is studied. Different core states are explicitly included in the simulations to understand their involvement in the dissipation mechanism. The experimental data are well reproduced in the projectile velocity range of \(1.0 - 12.0~\mathrm{atomic~units}\). The core electrons of the projectile are found to open additional dissipation channels as the projectile velocity increases. Almost all of the energy loss is accounted for, even for high projectile velocities, when core electrons as deep as \(2s\) are explicitly treated. In addition to their expected excitation at high velocities, a flapping dynamical response of the core electrons is observed at intermediate projectile speeds.
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