Force mapping on a partially H-covered Si(111)-(7×7) surface: Influence of tip and surface reactivity

Abstract

We report force mapping experiments on Si(111)-(7$\ifmmode\times\else\texttimes\fi{}$7) surfaces with adsorbed hydrogen, using atomic force microscopy at room temperature supported by density functional theory (DFT) simulations. On the basis of noncontact atomic force microscopy (NC-AFM) images as well as force versus distance curves measured over both hydrogen-passivated and bare Si adatoms, we identified two types of tip termination, which result in different modes of interaction with the surface. The statistics of the tip dependence of the measured forces, which are effectuated using various tip states with different cantilevers, reveal the typical values of the force and their distribution in the two characteristic interaction modes. The experimental results are corroborated by DFT calculations performed for different tip structures. As a reactive tip, the dimer-terminated Si tip yields results in satisfactory agreement with experimental force curves for hydrogen-passivated and nonpassivated Si adatom sites. An oxidized Si dimer tip that bears a hydroxyl group on its apex reproduces well the experimental force curves acquired by nonreactive tips. This tip model could thus be used to interpret the experimentally obtained weak image contrast for the Si(111)-(7$\ifmmode\times\else\texttimes\fi{}$7) surface. The forces are thought to arise as a result of a weak electrostatic interaction involving a permanent dipole at the tip apex enhanced by the charge density redistribution due to the interaction with surface adatoms.