Atomic modification of stepped metal surfaces using vertical single-atom manipulation with a trimer-apex tip: First-principles and semiempirical simulations

We propose a controlled method to modify the atomic step of an Al(111) surface with atomic precision using the tip of the scanning probe microscope by first-principles molecular static simulations. Single atoms can be extracted vertically and repositioned at a mono-atomic step of an Al(111) surface using vertical single-atom manipulation with an Al trimer-apex tip. This reversible process uses only atomic tip–surface interactions and allows the precision modification of the metal surface at the atomic scale. The method is also applicable to multi-atomic steps and to the other stepped metal surfaces like Pt(111) according to our semiempirical simulations using embedded-atom-method potentials.