Nuclear stopping powers for DFT potentials

Abstract

Interaction potentials were obtained by the density functional theory (DFT) and nuclear stopping powers (NSP) were calculated for 48 systems in the energy range above 10 eV. It was shown that NSP calculated using the DFT potentials in the collision energy range of 10–1000 eV give more accurate values comparing with the SRIM data, obtained data differs from SRIM data by 15–70%. The presence of a potential well leads to the emergence of an additional NSP peak at low energies. Comparison of classical calculations of the transport cross section with semiclassical ones showed their identity at energies of up to 1 eV. The criterion for the applicability of classical calculations for the transport cross section and NSP cross sections is the condition ℓ>1 (ℓ is the angular momentum). The importance of including multichannel scattering in NSP calculations was demonstrated, for the case of energies below 20 eV.