Theoretical study of the nitrogen adsorption on si and GaAs (100) surfaces

摘要

We present the results of a theoretical study of the adsorption of N over Si and As-terminated GaAs (100) (2x1) surfaces. Based on the calculated data, the N-atoms will prefer the unoccupied sites of the GaAs surface, close to the As dimer, while is trapped by the Si dimer at the Si surface. At the GaAs surfaces, the presence of the N pushes the As dimer out of the surface, leading to the anion exchange between the N and As atoms. Moreover, the kinetics of the N islands formation over these surfaces follows the Vollmer-Weber model.