Publications of Matthias Scheffler

Neugebauer, J., T.K. Zywietz, M. Scheffler, J.E. Northrup and C.G. Van de Walle: Clean and As-covered zinc-blende GaN (001) surfaces: Novel surface structures and surfactant behavior. Physical Review Letters 80 (14), 3097–3100 (1998).

Pohl, K., J.-H. Cho, K. Terakura, M. Scheffler and E.W. Plummer: Anomalously large thermal expansion at the (0001) surface of beryllium without observable interlayer anharmonicity. Physical Review Letters 80 (13), 2853–2856 (1998).

Ratsch, C. and M. Scheffler: Density-functional theory calculations of hopping rates of surface diffusion. Physical Review B 58 (19), 13163–13166 (1998).

Ruggerone, P., A. Kley and M. Scheffler: Bridging the length and time scales: from ab initio electronic structure calculations to macroscopic proportions. Comments on Condensed Matter Physics 18, 261–277 (1998).

Schwarz, G., A. Kley, J. Neugebauer, J. Neugebauer and M. Scheffler: Electronic and structural properties of vacancies on and below the GaP(110) surface. Physical Review B 58, 1392–1400 (1998).

Schwegmann, S., A.P. Seitsonen, V.D. Renzi, H. Dietrich, H. Bludau, M. Gierer, H. Over, K. Jacobi, M. Scheffler and G. Ertl: Oxygen adsorption on the Ru(101¯0) surface: Anomalous coverage dependence. Physical Review B 57 (24), 15487–15495 (1998).

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).