Publications of Matthias Scheffler

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)

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

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

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

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

Todorova, M.; Li, W.; Ganduglia-Pirovano, M. V.; Stampfl, C.; Reuter, K.; Scheffler, M.: Role of sub-surface oxygen in oxide formation at transition metal surfaces. Physical Review Letters 89 (9), 096103 (2002)

Wang, X.-G.; Smith, J. R.; Scheffler, M.: Effect of hydrogen on Al₂O₃/Cu interfacial structure and adhesion. Physical Review B 66 (7), 073411 (2002)

Kratzer, P.; Scheffler, M.: Surface Knowledge: Toward a Predictive Theory of Materials. Computing in Science & Engineering 3 (6), pp. 16 - 25 (2001)

Ebert, P.; Quadbeck, P.; Urban, K.; Henninger, B.; Horn, K.; Schwarz, G.; Neugebauer, J.; Scheffler, M.: Identification of surface anion antisite defects in (110) surfaces of III-V semiconductors. Applied Physics Letters 79 (18), pp. 2877 - 2879 (2001)

Reuter, K.; Scheffler, M.: Surface core-level shifts at an oxygen-rich Ru surface: O/Ru(0001) vs. RuO_2(110). Surface Science 490 (1-2), pp. 20 - 28 (2001)

Dohmen, R.; Pichlmeier, J.; Petersen, M.; Wagner, F.; Scheffler, M.: Parallel FP-LAPW for distributed-memory machines. Computing in Science & Engineering 3 (4), pp. 18 - 29 (2001)

Penev, E.; Kratzer, P.; Scheffler, M.: Effect of strain on surface diffusion in semiconductor heteroepitaxy. Physical Review B 64 (8), 085401 (2001)

Wang, L. G.; Kratzer, P.; Scheffler, M.; Liu, Q. K. K.: Island dissolution during capping layer growth interruption. Applied Physics A 73 (2), pp. 161 - 165 (2001)

Healy, S. B.; Filippi, C.; Kratzer, P.; Penev, E.; Scheffler, M.: The role of electronic correlation in the Si(100) reconstruction: a quantum Monte Carlo study. Physical Review Letters 87 (01), 016105 (2001)

Tatarczyk, K.; Schindlmayr, A.; Scheffler, M.: Exchange-correlation kernels for excited states in solids. Physical Review B 63 (23), pp. 235106-1 - 235106-7 (2001)

Ganduglia-Pirovano, M. V.; Scheffler, M.; Baraldi, A.; Lizzit, S.; Comelli, G.; Paolucci, G.; Rosei, R.: Oxygen induced Rh 3d_5/2 surface core-level shifts on Rh(111). Physical Review B 63 (20), pp. 205415-1 - 205415-11 (2001)

Lizzit, S.; Baraldi, A.; Groso, A.; Reuter, K.; Ganduglia-Pirovano, M. V.; Stampfl, C.; Scheffler, M.; Stichler, M.; Keller, C.; Wurth, W. et al.; Menzel, D.: Surface core level shifts of clean and oxygen covered Ru(0001). Physical Review B 63 (20), 205419 (2001)

Feibelman, P. J.; Hammer, B.; Norskov, J. K.; Wagner, F.; Scheffler, M.; Stumpf, R.; Watwe, R.; Dumesic, J.: The CO/Pt(111) puzzle. The Journal of Physical Chemistry B 105 (18), pp. 4018 - 4025 (2001)

Márquez, J.; Kratzer, P.; Geelhaar, L.; Jacobi, K.; Scheffler, M.: Atomic structure of the stoichiometric GaAs(114) surface. Physical Review Letters 86 (1), pp. 115 - 118 (2001)