Publications of Matthias Scheffler

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).

Fuchs, M. and M. Scheffler: Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory. Computer Physics Communications 119 (1), 67–98 (1999).

Gonze, X. and M. Scheffler: Exchange and correlation kernels at the resonance frequency: Implications for excitation energies in density-functional theory. Physical Review Letters 82 (22), 4416–4419 (1999).

Wang, L.G., P. Kratzer, M. Scheffler and N. Moll: Formation and stability of self-assembled coherent islands in highly mismatched heteroepitaxy. Physical Review Letters 82 (20), 4042–4045 (1999).

Eichler, A., J. Hafner, A. Groß and M. Scheffler: Trends in the chemical reactivity of surfaces studied by ab initio quantum-dynamics calculations. Physical Review B 59 (20), 13297–13300 (1999).

Geelhaar, L., J. Márquez, K. Jacobi, A. Kley, P. Ruggerone and M. Scheffler: A scanning tunneling microscopy study of the GaAs(112) surfaces. Microelectronics Journal 30 (4-5), 393–396 (1999).

Platen, J., A. Kley, C. Setzer, K. Jacobi, P. Ruggerone and M. Scheffler: The importance of high-index surfaces for the morphology of GaAs quantum dots. Journal of Applied Physics 85 (7), 3597–3601 (1999).

Zywietz, T.K., J. Neugebauer and M. Scheffler: The adsorption of oxygen at GaN surfaces. Applied Physics Letters 74 (12), 1695–1697 (1999).

Penev, E., P. Kratzer and M. Scheffler: Effect of the cluster size in modeling the H_2 desorption and dissociative adsorption on Si(001). Journal of Chemical Physics 110 (8), 3986–3994 (1999).

Groß, A., M. Scheffler, M.J. Mehl and D.A. Papaconstantopoulos: Ab initio based tight-binding Hamiltonian for the dissociation of molecules at surfaces. Physical Review Letters 82 (6), 1209–1212 (1999).

Harrison, N.M., X.-G. Wang, J. Muscat and M. Scheffler: The influence of soft vibrational modes on our understanding of oxide surface structure. Faraday Discussions 114, 305–312 (1999).

Kim, H.W., J.R. Ahn, J.W. Chung, B.D. Yu and M. Scheffler: Alkali metal (Li, K) induced reconstructions of the W(001) surface. Surface Science 430 (1-3), L515–L520 (1999).