Berlin 2015 – scientific programme

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O: Fachverband Oberflächenphysik

O 82: Nanostructure at Surfaces: Dots and Clusters

O 82.4: Talk

Thursday, March 19, 2015, 11:15–11:30, MA 043

Simulation of AFM-images for Fe-clusters on Cu(111) — •Svitlana Polesya¹, Sergiy Mankovsky¹, Diemo Ködderitzsch¹, Jan Minár¹, Hubert Ebert¹, and Franz Giessibl² — ¹LMU München, Dept. Physikalische Chemie, München, Germany — ²Institut für Experimentelle Physik, Univ. Regensburg, Germany

The present work is motivated by a study on small Fe_n-clusters (n = 1,2, and 3) on Cu(111) surface using Atomic Force Microscopy (AFM) at subatomic level. The first part of the work is devoted to the investigation of the ground state properties of deposited Fe clusters by means of DFT calculations. The crucial role of the relaxation of the Cu surface for the equilibrium position of Fe atoms is demonstrated. The effect of electronic correlations on the equilibrium positions have been investigated within the LSDA+U calculations using different U values. In the second part of the work the forces on the tip approaching the Fe/Cu(111) surface are studied. The tip was modeled by a single atom of inert gas as well as by an H atom. The dependence of the AFM image on the tip-cluster distance is shown that is in agreement with the experimental findings.