Abstract

To improve the understanding of atom manipulation, moving a single silver atom on a Si(001) surface by the tip apex of an STM is investigated theoretically. Two adsorption sites on Si(001) were tested: (i) the cave site between two dimers belonging to two adjacent dimer rows, and (ii) the bond site on the dangling bond of one surface silicon atom. We have found that a sliding or a pushing process by the tip is not feasible when the silver adatom is located in the cave site. However, it is possible to push the Ag atom in the case of bond-site adsorption, with a tip height ranging between 2.53 and 3 Å above the surface.

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