Publications (18)
Ab-initio calculation of the real contact area on the atomic scale
Michael Wolloch, Gregor Feldbauer, Peter Mohn +2
We present a novel approach to determine the onset of contact between a tip and a surface. The real contact area depending on the distance is calculated using Bader's quantum theor…
First principles studies of the electronic and structural properties of the rutile VO(110) surface and its oxygen-rich terminations
Jakub Planer, Florian Mittendorfer, Josef Redinger
We present a Density Functional Theory (DFT) study of the structural and electronic properties of bare rutile VO(110) surfaces and its oxygen-rich terminations. We discuss th…
Adsorption of a superoxo O2- species on the pure an Ca doped Sr3Ru2O7(001) surface
Wernfried Mayr-Schmölzer, Florian Mittendorfer, Josef Redinger
Only recently, the activation of oxygen molecules on clean defect-free transition metal oxide surfaces has been reported, for example on the CaO-terminated surface of the Ruddelsde…
Adsorption and Intermolecular Interaction of Cobalt Phthalocyanine on CoO(111) Ultrathin Films: An STM and DFT Study
Tobias Schmitt, Pascal Ferstl, Lutz Hammer +2
We investigate the adsorption of cobalt phthalocyanine (CoPc) molecules on a thin layer of cobalt oxide grown on Ir(100). To that end we compare the results of low-temperature scan…
Point defects at cleaved SrRuO(001) surfaces
Bernhard Stöger, Marcel Hieckel, Florian Mittendorfer +10
The (001) surfaces of cleaved SrRuO and SrRuO samples were investigated using low-temperature scanning tunneling microscopy and density functional theory calcul…
An oxygen-rich, tetrahedral surface phase on high-temperature rutile VO(110) single crystals
Margareta Wagner, Jakub Planer, Bettina S. J. Heller +9
Vanadium dioxide undergoes a metal-insulator transition (MIT) from an insulating (monoclinic) to a metallic (tetragonal) phase close to room temperature, which makes it a promising…