First-principles-simulation of both charge state and stopping power of swift heavy ions in solids

Up today there exists no closed theory for calculating both charge exchange and energy loss of heavy ions in solids. We herewith present an approximation to this longstanding problem in terms of simulating a classical many-body system interacting exclusively via pure Coulomb’s Law, thus a treatment from first-principles, where charge exchange and energy loss are calculated with one and the same method. We have extended the well-known classical trajectory Monte Carlo (CTMC) method to be applicable for the simultaneous interaction of an ion with several atoms at solid densities [F. Grüner, F. Bell, W. Assmann, M. Schubert, Phys. Rev. Lett. 93 (2004) 213201]. With this it is possible to study in detail the development of charge and excitation state, stopping power and, as presented in this paper, even wake formation for ions entering into a solid. We reproduce quite well measured stopping power and charge state distribution data both for equilibrium and non-equilibrium conditions.