Publications of Matthias Scheffler

Stampfl, C., M. Scheffler, H. Over, J. Burchhardt, M. Nielsen, D.D. Adams and W. Moritz: LEED structural analysis of Al(111)-K(√3 x √3)R30°: Identification of stable and metastable adsorption sites. Physical Review B 49 (7), 4959–4972 (1994).

Stumpf, R. and M. Scheffler: Mechanisms of self-diffusion on flat and stepped Al surfaces. Surface Science 307-309 (Part A), 501–506 (1994).

Stumpf, R. and M. Scheffler: Simultaneous calculation of the equilibrium atomic structure and its electronic ground state using density-functional theory. Computer Physics Communications 79 (3), 447–465 (1994).

Stumpf, R. and M. Scheffler: Theory of self-diffusion at and growth of Al(111). Physical Review Letters 72 and 73, 254 and 508–257 and 508 (1994).

Wilke, S., D. Hennig, R. Löber, M. Methfessel and M. Scheffler: Ab-initio study of hydrogen adsorption on Pd(100). Surface Science 307-309, 76–81 (1994).

Yamada, K., T. Kraft, T. Aisaka, A. Ishii and M. Scheffler: Spin- and angle-resolved UPS spectrum calculation for ferromagnetic Nickel. Trans. Mat. Res. Soc. Jpn. 16A, 259–262 (1994).

Ziegler, C., U. Scherz and M. Scheffler: Pressure dependences of transition energies of the As antisite and the Ga-vacancy-As-interstitial pair compared to stable and metastable EL2. Materials Science Forum 143-147, 995–1000 (1994).

Aristov, V.Y., M. Bertolo, K. Jacobi, F. Maca and M. Scheffler: Experimental and theoretical investigation of the electronic structure of silver deposited onto InSb(110) at 10 K. Physical Review B 48 (8), 5555–5566 (1993).

Bechstedt, F. and M. Scheffler: Alkali adsorption on GaAs(110): atomic structure, electronic states and surface dipoles. Surface Science Reports 18 (5-6), 145–198 (1993).

Doyen, G., D. Drakova and M. Scheffler: Green-function theory of scanning tunneling microscopy: Tunnel current and current density for clean metal surfaces. Physical Review B 47 (15), 9778–9790 (1993).

Fiorentini, V., M. Methfessel and M. Scheffler: Electronic and structural properties of GaN by the full-potential linear muffin-tin orbitals method: The role of the d electrons. Physical Review B 47 (20), 13353–13362 (1993).

Fiorentini, V., M. Methfessel and M. Scheffler: Reconstruction mechanism of fcc transition metal (001) surfaces. Physical Review Letters 71 (7), 1051–1054 (1993).

Hennig, D., M. Methfessel and M. Scheffler: Ab-initio calculation of the initial- and final-state effects on core-level shifts at transition metal surfaces. International Journal of Modern Physics B 7 (1-3), 542–545 (1993).

Kraft, T., P.M. Marcus, M. Methfessel and M. Scheffler: Elastic constants of Cu and the instability of its bcc structure. Physical Review B 48 (9), 5886–5890 (1993).

Kraft, T., M. Methfessel, M. van Schilfgaarde and M. Scheffler: Elastic properties of strained fcc and hcp iron. International Journal of Modern Physics B 7 (1-3), 207–211 (1993).

Kraft, T., M. Methfessel, M. van Schilfgaarde and M. Scheffler: Effect of substrate-imposed strain on the growth of metallic overlayers calculated for fcc and hcp iron. Physical Review B 47 (15), 9862–9869 (1993).

Methfessel, M., D. Hennig and M. Scheffler: Ab-initio calculations of the initial- and final-state effects on the surface core-level shift of transition metals. Surface Science 287/288 (2), 785–788 (1993).

Methfessel, M., M. van Schilfgaarde and M. Scheffler: Electronic structure and bonding in the metallocarbohedrene Ti₈C₁₂. Physical Review Letters 70 (1), 29–32 (1993).

Neugebauer, J. and M. Scheffler: Theory of adsorption and desorption in high electric fields. Surface Science 287/288 (2), 572–576 (1993).

Neugebauer, J. and M. Scheffler: Mechanisms of island formation of alkali-metal adsorbates on Al(111). Physical Review Letters 71 (4), 577–580 (1993).