Publications of Matthias Scheffler

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).

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).

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).

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).

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).

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).

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).

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).

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).

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).

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).

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).

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).

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).

Xie, J., S. de Gironcoli, S. Baroni and M. Scheffler: Temperature dependent surface relaxations of Ag(111). Physical Review B 59 (2), 970–974 (1999).

Xie, J., S. de Gironcoli, S. Baroni and M. Scheffler: First-principles calculation of the thermal properties of silver. Physical Review B 59 (2), 965–969 (1999).

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

Boisvert, G., L.J. Lewis and M. Scheffler: Island morphology and adatom self-diffusion on Pt(111). Physical Review B 57 (3), 1881–1889 (1998).

Fuchs, M., M. Bockstedte, E. Pehlke and M. Scheffler: Pseudopotential study of binding properties of solids within generalized gradient approximations: The role of core-valence exchange correlation. Physical Review B 57 (4), 2134–2145 (1998).