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O: Fachverband Oberflächenphysik
O 56: Scanning probe techniques: Method development II
O 56.1: Vortrag
Mittwoch, 11. März 2026, 10:30–10:45, HSZ/0401
Simulation of coupled AFM and constant current STM images — •Marvin Krenz1,2, Miguel Wiche1,3, Daniel Ebeling1,3, and Simone Sanna1,2 — 1Center for Materials Research, Justus-Liebig University, Giessen, Germany — 2Institute of Theoretical Physics, Justus-Liebig University, Giessen, Germany — 3Institute of Applied Physics, Justus-Liebig University, Giessen, Germany
We present a simulation method for AFM images with a constant current STM feedback loop. In contrast to regular AFM constant height images, those images can picture the features of bulky or corrugated molecules, as shown by experiment [1].
The method is based on the electronic density of the molecules, and thus applicable to virtually any DFT code. We apply this method to two test systems, the 6F-Pentacene molecule at Cu(111) and the iodotriphenylene at Ag(111), at different level of approximation.
Both systems compare well to the experimental images; at the highest level of approximation nearly all features of the experiment are reproduced.
[1] Martin-Jimenez, D.; Ahles, S.; Mollenhauer, D.; Wegner, H. A.; Schirmeisen, A.; Ebeling, D. Physical Review Letters 2019, 122, 196101.
Keywords: AFM; STM; Density functional theory; probe-particle model