Core Electrons in the Electronic Stopping of Heavy Ions.
Core Electrons in the Electronic Stopping of Heavy Ions.
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DOI：
10.1103/physrevlett.121.116401
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发表时间：
2018-02
影响因子：
8.6
通讯作者：
R. Ullah;E. Artacho;A. Correa
中科院分区：
文献类型：
--
作者：
R. Ullah;E. Artacho;A. Correa
电子阻止功率在千电子伏/千电子伏范围内准确地计算出高原子数弹丸的第一性原理和核心状态的影响进行了仔细评估。利用实时含时密度泛函理论研究了自辐照镍中电子的能量损失。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。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。当核心电子深至2s^{2} 2 p ^{6}时，几乎所有的能量损失都可以解释，即使是在高速射弹的情况下。除了他们预期的激发在高速，拍动的动力学响应的弹丸核心电子观察到在中间速度。在1.0-12.0 a.u.的弹丸速度范围内，经验参考数据得到了很好的再现。（1.5-210 MeV）。
Electronic stopping power in the keV/Å range is accurately calculated from first principles for high atomic-number projectiles and the effect of core states is carefully assessed. The energy loss to electrons in self-irradiated nickel is studied using real-time time-dependent density functional theory. Different core states are explicitly included in the simulations to understand their involvement in the dissipation mechanism. 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^{2}2p^{6} are explicitly treated. In addition to their expected excitation at high velocities, a flapping dynamical response of the projectile core electrons is observed at intermediate velocities. The empirical reference data are well reproduced in the projectile velocity range of 1.0-12.0 a.u. (1.5-210 MeV).