Publications of Matthias Scheffler

Stampfl, C., K. Kambe, R. Fasel, P. Aebi and M. Scheffler: Theoretical analysis of the electronic structure of the stable and metastable c(2x2) phases of Na on Al(001): Comparison with angle-resolved ultraviolet photoemission spectra. Physical Review B 57 (24), 15251–15260 (1998).

Stampfl, C. and M. Scheffler: Coadsorption of CO and O on Ru(0001): A structural analysis by density functional theory. Israel Journal of Chemistry 38 (4), 409–414 (1998).

Wagner, F., T. Laloyaux and M. Scheffler: Errors in Hellmann-Feynman forces due to occupation-number broadening and how they can be corrected. Physical Review B 57 (4), 2102–2107 (1998).

Wang, X.-G., W. Weiss, S.K. Shaikhutdinov, M. Ritter, M. Petersen, F. Wagner, R. Schlögl and M. Scheffler: The Hematite (α-Fe₂O₃) (0001) Surface: Evidence for Domains of Distinct Chemistry. Physical Review Letters 81 (5), 1038–1041 (1998).

Wei, C.M., A. Groß and M. Scheffler: Ab initio calculation of the potential energy surface for the dissociation of H₂ on the sulfur-covered Pd(100) surface. Physical Review B 57 (24), 15572–15584 (1998).

Xie, J. and M. Scheffler: Structure and dynamics of Rh surfaces. Physical Review B 57 (8), 4768–4775 (1998).

Zywietz, T.K., J. Neugebauer and M. Scheffler: Adatom diffusion at GaN(0001) and (0001̄) surfaces. Applied Physics Letters 73 (4), 487–489 (1998).

Zywietz, T.K., J. Neugebauer, M. Scheffler and J.E. Northrup: Novel reconstruction mechanisms: A comparison between group-III-nitrides and "traditional" III-V-semiconductors. Psi-k Newsletter 29, 112–124 (1998).

Zywietz, T.K., J. Neugebauer, M. Scheffler, J.E. Northrup and C.G. Van de Walle: Surface structures, surfactants and diffusion at cubic and wurtzite GaN. MRS Internet Journal of Nitride Semiconductor Research 3, e26 (1998).

Yu, B.D. and M. Scheffler: Physical origin of exchange diffusion on fcc(100) metal surfaces. Physical Review B 56 (24), R15569–R15572 (1997).

Alippi, P., P.M. Marcus and M. Scheffler: Strained tetragonal states and bain paths in metals. Physical Review Letters 78 (20), 3892–3895 (1997).

Arnold, M., G. Hupfauer, P. Bayer, L. Hammer, K. Heinz, B. Kohler and M. Scheffler: Hydrogen on W(110): an adsorption structure revisited. Surface Science 382 (1-3), 288–299 (1997).

Bockstedte, M., A. Kley, J. Neugebauer and M. Scheffler: Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics. Computer Physics Communications 107 (1-3), 187–222 (1997).

Bockstedte, M. and M. Scheffler: Theory of Self-Diffusion in GaAs. Zeitschrift für Physikalische Chemie 200 (1-2), 195–207 (1997).

Cho, J.-H. and M. Scheffler: Surface relaxation and ferromagnetism of Rh(001). Physical Review Letters 78 (7), 1299–1302 (1997).

Ganduglia-Pirovano, M.V., J. Kudrnovský and M. Scheffler: Adlayer core-level shifts of random metal overlayers on transition-metal substrates. Physical Review Letters 78 (9), 1807–1810 (1997).

Groß, A., M. Bockstedte and M. Scheffler: Ab initio molecular dynamics study of the desorption of D₂ from Si(100). Physical Review Letters 79 (4), 701–704 (1997).

Groß, A. and M. Scheffler: Role of zero-point effects in catalytic reactions involving hydrogen. Journal of Vacuum Science and Technology A 15 (3), 1624–1629 (1997).

Groß, A. and M. Scheffler: Steering and ro-vibrational effects on dissociative adsorption and associative desorption of H₂Pd(100). Progress in Surface Science 53 (2-4), 187–196 (1997).

Kley, A., P. Ruggerone and M. Scheffler: Novel diffusion mechanism on the GaAs (001) surface: the role of adatom-dimer interaction. Physical Review Letters 79 (26), 5278–5281 (1997).