Layer-doubling method in ADF-STEM image simulation

Ultramicroscopy. 2003 Sep;96(3-4):323-33. doi: 10.1016/S0304-3991(03)00097-4.

Abstract

A layer-doubling method developed in LEED calculation is applied to the ADF-STEM image simulation. This approach makes it possible to simulate image intensities of systems having a repeated slab structure, such as embedded precipitates or defects, with a much higher efficiency because it does not require the diagonalization of repeated slabs. As a simple example of this method, channeling effects are calculated for a system with embedded crystalline displaced slabs for various different slab thicknesses.