Simulation of the observability of atomic defects by atomic force microscopy in contact and non-contact modes

Atomic force microscopy (AFM) scans of a crystal surface containing an atomic defect were simulated in both contact and non-contact regimes. When scanning in contact mode near a defect, the tip–sample force interaction experiences bifurcation of the lines of constant force. When the load force is small, the bifurcation causes the tip to be “pushed” out of the defect. However, if scan force is higher than some critical value (dependent upon the composition of the tip and sample) the AFM tip becomes “trapped” in the vicinity of defect. The trapped tip remains at the level of the vacancy and consequently crashes into the sample, as the scan continues. This results in either the tip apex being destroyed, or disruption of the crystal lattice around the defect. Both effects result in the “disappearance” of the defect from the scan images. The trap is intrinsic and cannot be avoided. For the case of non-contact mode, the tip position is driven by the scan force gradient rather than the force. Simulations show that for this case the trap does not exist and atomic defects will not be destroyed. This explains why atomic defects are generally not observed when using contact mode AFM, but are observed in non-contact AFM.