Computer simulation of high‐resolution transmission electron microscopy images of Si/SiO2interfaces

摘要

Cross‐sectional high‐resolution transmission electron microscopy (HRTEM) images of the crystalline Si/SiO2interface have been computer simulated on the basis of various interface models in order to facilitate the interpretation of experimental HRTEM images. Continuous random networks of SiO2have been constructed on crystalline Si substrates with different orientations and surface morphologies using plastic balls and spokes. The distortion energy introduced by artifacts in the model has been relaxed by modifying the atom positions, HRTEM images of the models have been calculated using the multislice dynamical electron scattering method. The apparent shift of the (111)Si/SiO2interface into the SiO2region has been observed due to the localization of first Si atoms in SiO2region. The contrast of the crystalline Si image due to the amorphous SiO2region in the wedge‐shaped bilayer structure of the Si/SiO2interface has been obscured. The undulated (100)Si/SiO2interface delineated with {111} facets has given an unexpectedly flat periodic‐nonperiodic interface image.