Direct atomic imaging of solid surfaces. I. Image simulation and interpretation

This paper describes some of the more important features of high resolution electron image simulation and interpretation necessary for the detailed interpretation of experimental micrographs of solid surfaces at the atomic level. The emphasis is upon theoretical image simulations, but a number of experimental images are included for comparison. In detail, the mechanics of setting up the calculations without introducing unwanted interference between surfaces, the role of localisation in obtaining images which are representative of the local surface structure and the imaging effects of a surface potential, relaxations, reconstructions and contaminant superstructures are briefly discussed and the qualitative effects expected for somewhat thicker specimens are considered.