Publications of Matthias Scheffler

Neugebauer, J.; Zywietz, T. K.; Scheffler, M.; Northrup, J.: Theory of surfaces and interfaces of group-III nitrides. Applied Surface Science 159-160, pp. 355 - 359 (2000)

Wang, X.-G.; Chaka, A.; Scheffler, M.: Effect of the environment on alpha-Al_2O_3 (0001) surface structures. Physical Review Letters 84 (16), pp. 3650 - 3653 (2000)

Petersen, M.; Wagner, F.; Hufnagel, L.; Scheffler, M.; Blaha, P.; Schwarz, K.: Improving the efficiency of FP-LAPW calculations. Computer Physics Communications 126 (3), pp. 294 - 309 (2000)

Groß, A.; Scheffler, M.: Dynamics of hydrogen dissociation at the sulfur-covered Pd(100) surface. Physical Review B 61 (12), pp. 8425 - 8432 (2000)

Pentcheva, R.; Scheffler, M.: Stable and metastable structures of Co on Cu(001): An ab initio study. Physical Review B 61 (3), pp. 2211 - 2220 (2000)

LaBella, V. P.; Bullock, D. W.; Ding, Z.; Emery, C.; Thibado, P. M.; Kratzer, P.; Scheffler, M.: A novel imaging mechanism to determine the atomic structure of the GaAs(001)-(2x4) surface. Omicron Newsletter 4, pp. 4 - 5 (2000)

Wang, L. G.; Kratzer, P.; Moll, N.; Scheffler, M.: Size, shape, and stability of InAs quantum dots on the GaAs(001) substrate. Physical Review B 62, pp. 1897 - 1904 (2000)

Liu, Q. K. K.; Moll, N.; Scheffler, M.; Pehlke, E.: Equilibrium shapes and energies of coherent strained InP islands. Physical Review B 60 (24), pp. 17008 - 17015 (1999)

Nouvertné, F.; May, U.; Bamming, M.; Rampe, A.; Korte, U.; Güntherodt, G.; Pentcheva, R.; Scheffler, M.: Atomic exchange processes and bimodal initial growth of Co/Cu(001). Physical Review B 60 (20), pp. 14382 - 14386 (1999)

Stampfl, C.; Kreuzer, H. J.; Payne, S. H.; Scheffler, M.: Challenges in predictive calculations of processes at surfaces: surface thermodynamics and catalytic reactions. Applied Physics A 69 (5), pp. 471 - 480 (1999)

LaBella, V. P.; Yang, H.; Bullock, D. W.; Thibado, P. M.; Kratzer, P.; Scheffler, M.: Atomic structure of the GaAs(001)-(2x4) surface resolved using scanning tunneling microscopy and first-principles theory. Physical Review Letters 83 (15), pp. 2989 - 2992 (1999)

Stampfl, C.; Kreuzer, H. J.; Payne, S. H.; Pfnür, H.; Scheffler, M.: First-principles theory of surface thermodynamics and kinetics. Physical Review Letters 83 (15), pp. 2993 - 2996 (1999)

Jacobi, K.; Platen, J.; Setzer, C.; Márquez, J.; Geelhaar, L.; Meyne, C.; Richter, W.; Kley, A.; Ruggerone, P.; Scheffler, M.: Morphology, surface core-level shifts and surface energy of the faceted GaAs(112)A and (112)B surfaces. Surface Science 439 (1-3), pp. 59 - 72 (1999)

Eichler, A.; Hafner, J.; Groß, A.; Scheffler, M.: Rotational effects in the dissociation of H_2 on metal surfaces studied by ab initio quantum-dynamics calculations. Chemical Physics Letters 311 (1-2), pp. 1 - 7 (1999)

Bonn, M.; Funk, S.; Hess, C.; Denzler, D. N.; Stampfl, C.; Scheffler, M.; Wolf, M.; Ertl, G.: Phonon- Versus Electron-Mediated Desorption and Oxidation of CO on Ru(0001). Science 285 (5430), pp. 1042 - 1045 (1999)

Bonn, M.; Funk, S.; Hess, C.; Denzler, D. N.; Stampfl, C.; Scheffler, M.; Wolf, M.; Ertl, G.: Phonon- versus electron-mediated desorption and oxidation of CO on Ru(0001). Science 285 (5430), pp. 1042 - 1045 (1999)

Stampfl, C.; Scheffler, M.: Density functional theory study of the catalytic oxidation of CO over transition metal surfaces. Surface Science 433-435, pp. 119 - 126 (1999)

Ganduglia-Pirovano, M. V.; Scheffler, M.: Structural and electronic properties of chemisorbed oxygen on Rh(111). Physical Review B 59 (23), pp. 15533 - 15543 (1999)

Kratzer, P.; Morgan, C. G.; Scheffler, M.: Model for nucleation in GaAs homoepitaxy derived from first principles. Physical Review B 59 (23), pp. 15246 - 15252 (1999)

Morgan, C. G.; Kratzer, P.; Scheffler, M.: Arsenic dimer dynamics during MBE growth: Theoretical evidence for a novel chemisorption state of As_2 molecules on GaAs surfaces. Physical Review Letters 82 (24), pp. 4886 - 4889 (1999)