Contrast formation in atomic resolution scanning force microscopy on CaF₂(111): experiment and theory

We investigate mechanisms of contrast formation in atomic resolution imaging of flat terraces on the CaF₂(111) surface with scanning force microscopy operated in the dynamic mode. Experimental results are interpreted with a theory based on atomistic modelling. Experiments reveal characteristic contrast features in the form of triangles that can be explained by theory as being due to the interaction of a positively terminated tip with fluorine ions from two different sublattices. Results for a tip with negative termination are found not to be compatible with experiments. We demonstrate that theory correctly predicts the trend in contrast changes when varying the tip-surface distance but is also limited in quantitative agreement due to the non-ideal atomic structure of real tips. In a distance range where such peculiarities do not play a major role, however, we find good quantitative agreement between theoretical predictions and experimental results. The validity of the comparison between theory and experimental scan lines is discussed in detail using an extensive statistical image analysis.