Abstract
We present the results of calculations performed to simulate the process of atomic-scale imaging and manipulation that explicitly take into account dynamical processes occurring at the surface. These calculations are performed using a novel multi-scale method that combines a simulation of the experimental instrument coupled with a kinetic Monte Carlo simulation of the microscopic system that evolves in real time. This method is applied to three qualitatively different systems: the manipulation of a Pd atom adsorbed on the MgO (001) surface, the imaging of the thermally induced motion of a water molecule adsorbed on the CeO2 (111) surface, and the manipulation of a C60 molecule on the Si (001) surface. The results of these simulations show how optimum protocols for controlled atomic-scale manipulation can be determined and how dynamical surface processes can significantly affect the contrast seen in NC-AFM images.
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Keywords
- Close Approach
- Minimum Energy Path
- Kinetic Monte Carlo
- Kinetic Monte Carlo Simulation
- Modelling Manipulation
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Trevethan, T., Martsinovich, N., Kantorovich, L., Shluger, A.L. (2009). Multi-Scale Modelling of NC-AFM Imaging and Manipulation at Insulating Surfaces. In: Morita, S., Giessibl, F., Wiesendanger, R. (eds) Noncontact Atomic Force Microscopy. NanoScience and Technology. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-01495-6_12
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