Publications of Matthias Scheffler

Journal Article

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

MPG.PuRe

Journal Article

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

MPG.PuRe

Journal Article

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

MPG.PuRe

Journal Article

C.G. Morgan, 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).

MPG.PuRe

Journal Article

M. Fuchs 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).

MPG.PuRe

Journal Article

X. Gonze 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).

MPG.PuRe

Journal Article

L.G. Wang, 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).

MPG.PuRe

Journal Article

A. Eichler, 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).

MPG.PuRe

Journal Article

L. Geelhaar, 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).

MPG.PuRe

Journal Article

J. Platen, 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).

MPG.PuRe

Journal Article

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

MPG.PuRe

Journal Article

E. Penev, 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).

MPG.PuRe

Journal Article

A. Groß, 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).

MPG.PuRe

Journal Article

N.M. Harrison, 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).

MPG.PuRe

Journal Article

H.W. Kim, 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).

MPG.PuRe

Journal Article

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

MPG.PuRe

Journal Article

J. Xie, 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).

MPG.PuRe

Journal Article

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

MPG.PuRe

Journal Article

M. Fuchs, 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).

MPG.PuRe