Electronic stopping calculated using explicit phase shift factors

Abstract

Predicting range profiles of low-energy (0.1--10 keV/amu) ions implanted in materials is a long-standing problem of considerable theoretical and practical interest. We combine here the best available method for treating the nuclear slowing down, namely a molecular-dynamics range calculation method, with a method based on density-functional theory to calculate electronic slowing down for each ion-target atom pair separately. Calculation of range profiles of technologically important dopants in Si shows that the method is of comparable accuracy to previous methods for B, P, and As implantation of Si, and clearly more accurate for Al implantation of Si.