Publications of Matthias Scheffler

Pentcheva, R., K.A. Fichthorn, M. Scheffler, T. Bernhard, R. Pfandzelter and H. Winter: Non-Arrhenius behavior of the island density in metal heteroepitaxy: Co on Cu(001). Physical Review Letters 90 (7), 076101–1-076101–4 (2003).

Reuter, K. and M. Scheffler: First-principles atomistic thermodynamics for oxidation catalysis: Surface phase diagrams and catalytically interesting regions. Physical Review Letters 90 (4), 046103 (2003).

Wang, X.-G., J.R. Smith and M. Scheffler: Adhesion of copper and alumina from first principles. Journal of the American Ceramic Society 86 (4), 696–700 (2003).

Reuter, K. and M. Scheffler: Composition, structure, and stability of RuO₂(110) as a function of oxygen pressure. Physical Review B 65 (3), 035406 (2002).

Erwin, S.C., S.-H. Lee and M. Scheffler: First-principles study of nucleation, growth, and interface structure on Fe/GaAs. Physical Review B 65 (20), 205422 (2002).

Fichthorn, K.A., M.L. Merrick and M. Scheffler: A kinetic Monte Carlo investigation of island nucleation and growth in thin-film epitaxy in the presence of substrate-mediated interactions. Applied Physics A 75, 17–23 (2002).

Filippi, C., S.B. Healy, P. Kratzer, E. Pehlke and M. Scheffler: Quantum Monte Carlo calculations of H₂ dissociation on Si(001). Physical Review Letters 89 (16), 166102 (2002).

Fuchs, M., J.L.F. Da Silva, C. Stampfl, J. Neugebauer and M. Scheffler: Cohesive properties of group-III nitrides: A comparative study of all-electron and pseudopotential calculations using the generalized gradient approximation. Physical Review B 65 (24), 245212 (2002).

Ganduglia-Pirovano, M.V., K. Reuter and M. Scheffler: Stability of subsurface oxygen at Rh(111). Physical Review B 65 (24), 245426 (2002).

Hedström, M., A. Schindlmayr and M. Scheffler: Quasiparticle Calculations for Point Defects on Semiconductor Surfaces. Physica Status Solidi (B) 234 (1), 346–353 (2002).

Kratzer, P., E. Penev and M. Scheffler: First-principles studies of kinetics in epitaxial growth of III-V semiconductors. Applied Physics A 75, 79–88 (2002).

Kratzer, P. and M. Scheffler: Reaction-limited island nucleation in molecular beam epitaxy of compound semiconductors. Physical Review Letters 88 (3), 036102 (2002).

Kroes, G.-J., A. Groß, E.-J. Baerends, M. Scheffler and D.A. McCormack: Quantum theory of dissociative chemisorption on metal surfaces. Accounts of Chemical Research 35 (3), 193–200 (2002).

Lee, S.M., S.-H. Lee and M. Scheffler: Comment on "Anomalous mobility of strongly bound surface species: Cl on GaAs(001)-c(8x2)". Physical Review Letters 89 (23), 239601 (2002).

Li, W., C. Stampfl and M. Scheffler: Oxygen adsorption on Ag(111): A density-functional theory investigation. Physical Review B 65 (7), 075407 (2002).

Pentcheva, R. and M. Scheffler: Initial adsorption of Co on Cu(001): A first-principles investigation. Physical Review B 65 (15), 155418 (2002).

Reuter, K., M.V. Ganduglia-Pirovano, C. Stampfl and M. Scheffler: Metastable precursors during the oxidation of the Ru(0001) surface. Physical Review B 65 (16), 165403 (2002).

Reuter, K., C. Stampfl, M.V. Ganduglia-Pirovano and M. Scheffler: Atomistic description of oxide formation on metal surfaces: the example of ruthenium. Chemical Physics Letters 352 (5-6), 311–317 (2002).

Stampfl, C., M.V. Ganduglia-Pirovano, K. Reuter and M. Scheffler: Catalysis and corrosion: the theoretical surface-science context. Surface Science 500 (1-3), 368–394 (2002).

Stampfl, C. and M. Scheffler: Energy barriers and chemical properties in the coadsorption of carbon monoxide and oxygen on Ru(0001). Physical Review B 65 (15), 155417 (2002).