Simulation of phosphorus ions interaction with Ge(1 0 0)-2×1 surfaces

The goal of this work is the simulation of possible structures, which phosphorus ions form during adsorption on the Ge surface. Results of quantum-chemical calculations of phosphorous ions (P−, P+) adsorption on clean ordered and disordered Ge(1 0 0)-(2×1) surfaces are presented in this work. Adsorption barriers for phosphorous ions, electronic states of Ge(1 0 0)-(2×1) surface with adsorbed and implanted P ions are calculated. Comparative analysis of simulation results for clusters of various sizes is presented. Phosphorus is a typical dopant and its adsorption on Ge surface is an initial stage of diffusion into the subsurface layers of semiconductor.