Publications of Matthias Scheffler

Reuter, K. and M. Scheffler: Composition and structure of the RuO₂(110) surface in an O₂ and CO environment: Implications for the catalytic formation of CO₂. Physical Review B 68 (4), 045407 (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).

Santoprete, R., B. Koiller, R.B. Capaz, P. Kratzer, Q.K.K. Liu and M. Scheffler: Tight-binding study of the influence of the strain on the electronic properties of InAs/GaAs quantum dots. Physical Review B 68, 235311–1-235311–9 (2003).

Scharoch, P., J. Neugebauer and M. Scheffler: Al(111)-(√3 x √3)R30: On-top versus substitutional adsorption for Rb and K. Physical Review B 68, 035403–1-035403–5 (2003).

Sun, Q., K. Reuter and M. Scheffler: Effect of a humid environment on the surface structure of RuO₂(110). Physical Review B 67 (20), 205424 (2003).

Todorova, M., E. Lundgren, V. Blum, A. Mikkelsen, S. Gray, J. Gustafson, M. Borg, J. Rogal, K. Reuter, J.N. Andersen and M. Scheffler: The Pd(100)-(√5 x √5)R27º-O surface oxide revisited. Surface Science 541, 101–112 (2003).

Wang, J., C.Y. Fan, Q. Sun, K. Reuter, K. Jacobi, M. Scheffler and G. Ertl: Surface coordination chemistry: Dihydrogen versus hydride complexes on RuO₂(110). Angewandte Chemie 115 (19), 2201–2204 (2003).

Wang, J., C.Y. Fan, Q. Sun, K. Reuter, K. Jacobi, M. Scheffler and G. Ertl: Surface coordination chemistry: Dihydrogen versus hydride complexes on RuO₂(110). Angewandte Chemie International Edition 42 (19), 2151–2154 (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).

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).