Publications of Matthias Scheffler

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Morgan, C.G., P. Kratzer and M. Scheffler: 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), 4886–4889 (1999).