Publications of Matthias Scheffler

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Groß, A.; Scheffler, M.: Ab initio quantum and molecular dynamics of the dissociative adsorption of hydrogen on Pd(100). Physical Review B 57 (4), pp. 2493 - 2506 (1998)

Groß, A.; Wei, C.-M.; Scheffler, M.: 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), pp. L1095 - L1100 (1998)

Kratzer, P.; Morgan, C. G.; Scheffler, M.: Density-functional theory studies on microscopic processes of GaAs growth. Progress in Surface Science 59 (1-4), pp. 135 - 147 (1998)

Kratzer, P.; Pehlke, E.; Scheffler, M.; Raschke, M. B.; Höfer, U.: Highly site-specific H₂ adsorption on vicinal Si(001) surfaces. Physical Review Letters 81 (25), pp. 5596 - 5599 (1998)

Moll, N.; Scheffler, M.; Pehlke, E.: Influence of surface stress on the equilibrium shape of strained quantum dots. Physical Review B 58 (8), pp. 4566 - 4571 (1998)