Publications of Matthias Scheffler

Journal Article (600)

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).
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).
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).
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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).
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).
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).
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).
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).
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).
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).
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).
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).
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).
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).
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).
Journal Article
A. Groß and M. Scheffler: Ab initio quantum and molecular dynamics of the dissociative adsorption of hydrogen on Pd(100). Physical Review B 57 (4), 2493–2506 (1998).
Journal Article
A. Groß, C.-M. Wei and M. Scheffler: Poisoning of hydrogen dissociation at Pd(100) by adsorbed sulfur studied by ab initio quantum dynamics and ab initio molecular dynamics. Surface Science 416 (1-2), L1095–L1100 (1998).
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P. Kratzer, C.G. Morgan and M. Scheffler: Density-functional theory studies on microscopic processes of GaAs growth. Progress in Surface Science 59 (1-4), 135–147 (1998).
Journal Article
P. Kratzer, E. Pehlke, M. Scheffler, M.B. Raschke and U. Höfer: Highly site-specific H2 adsorption on vicinal Si(001) surfaces. Physical Review Letters 81 (25), 5596–5599 (1998).
Journal Article
N. Moll, M. Scheffler and E. Pehlke: Influence of surface stress on the equilibrium shape of strained quantum dots. Physical Review B 58 (8), 4566–4571 (1998).
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