Publications of Matthias Scheffler

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)

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)