Publications of Matthias Scheffler

Kratzer, P.; Penev, E.; Scheffler, M.: Understanding the growth mechanisms of GaAs and InGaAs thin films by employing first-principles calculations. Applied Surface Science 216 (1-4), pp. 436 - 446 (2003)

Li, W.; Stampfl, C.; Scheffler, M.: Subsurface oxygen and surface oxide formation at Ag(111): A density-functional theory investigation. Physical Review B 67 (4), 045408 (2003)

Li, W.-X.; Stampfl, C.; Scheffler, M.: Insights into the function of silver as an oxidation catalyst by ab initio atomistic thermodynamics. Physical Review B 68 (16), 165412 (2003)

Neugebauer, J.; Zywietz, T. K.; Scheffler, M.; Northrup, J. E.; Chen, H.; Feenstra, R. M.: Adatom kinetics on and below the surface: The existence of a new diffusion channel. Physical Review Letters 90 (5), pp. 056101-1 - 056101-4 (2003)

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

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

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

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

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

Fichthorn, K. A.; Merrick, M. L.; Scheffler, M.: 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, pp. 17 - 23 (2002)

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

Fuchs, M.; Da Silva, J. L. F.; Stampfl, C.; Neugebauer, J.; Scheffler, M.: 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.; Reuter, K.; Scheffler, M.: Stability of subsurface oxygen at Rh(111). Physical Review B 65 (24), 245426 (2002)

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

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

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

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

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

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

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