Sputtering from swift-ion trails in LiF: A hybrid PIC/MD simulation

We model the sputtering of a LiF crystal induced by swift-ion impact. The impinging ion creates a trail of doubly ionized F+ ions, while simultaneously the corresponding electrons are set free. Ions move according to molecular dynamics, while excited electrons are treated by a particle-in-cell scheme. We treat the recombination time of electrons as a free parameter in our model. We find that the energy distribution of sputtered ions consists of 2 groups: a low-energy group centered at <1 eV, and a high-energy group at 7-8 eV. Fast ions (mainly Li+) are emitted early; these charge the surface negatively. Later, larger cluster ions and also neutral LiF molecules are emitted. Emission occurs at low angles to the surface normal. A jet along the normal direction can be observed, which is due to the electric field building up at the track surface. With increasing recombination time, processes are colder; sputtering decreases and the non-thermal jet structure becomes stronger.