Multiple scattering calculation of RHEED from growth Si(001) surfaces

Based on a multiple scattering theory of RHEED, specular beam intensities are calculated from Si(001) surfaces of 100 x 100 or 50 x 50 atoms per unit mesh, which are generated by a Monte Carlo simulation of homoepitaxial growth on the surface. The intensity shows a systematic variation with respect to time, which relates the RHEED intensity oscillations to the change in the surface morphology during growth. The prime factor for determining the intensity variation at very low glancing angles of incidence is attributed to the atomic density of the top surface layer. The sensitivity of the intensity to the surface morphology, especially to surface adatoms and vacancies, is also discussed, and a higher sensitivity to adatoms than to vacancies on a surface are revealed.