New scheme for calculation of annular dark-field STEM image including both elastically diffracted and TDS waves.

A new scheme of calculation of high-angle annular dark-field STEM image, capable of including both elastically diffracted and thermal diffuse scattering waves, has been presented by a combination of Pennycook's and Nakamura's methods. The new scheme has been demonstrated for image simulations of Si(011) as functions of thickness, defocus values and detector angles. In the present method, the TDS electron intensities are treated in the same way as in Pennycook's method, having a clear physical picture of its origin and reflecting the atom configuration in the systems. For the case of Si(011), it has been confirmed that at the detector angle of 60 to 160 mrad, which is usually applied, the image becomes highly incoherent, and even the image formed only from SOLZ beams becomes incoherent at the detector angle. At a low detector angle, however, the image has coherent features indicating the necessity of a simulation for individual systems.