Publications of Matthias Scheffler

Journal Article (600)

Journal Article
J. Neugebauer, 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).
Journal Article
K. Pohl, 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).
Journal Article
C. Ratsch and M. Scheffler: Density-functional theory calculations of hopping rates of surface diffusion. Physical Review B 58 (19), 13163–13166 (1998).
Journal Article
P. Ruggerone, 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).
Journal Article
G. Schwarz, 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).
Journal Article
S. Schwegmann, 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).
Journal Article
C. Stampfl, 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).
Journal Article
C. Stampfl 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).
Journal Article
F. Wagner, 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).
Journal Article
X.-G. Wang, 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).
Journal Article
C.M. Wei, 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).
Journal Article
J. Xie and M. Scheffler: Structure and dynamics of Rh surfaces. Physical Review B 57 (8), 4768–4775 (1998).
Journal Article
T.K. Zywietz, J. Neugebauer and M. Scheffler: Adatom diffusion at GaN(0001) and (0001̄) surfaces. Applied Physics Letters 73 (4), 487–489 (1998).
Journal Article
T.K. Zywietz, 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).
Journal Article
T.K. Zywietz, 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).
Journal Article
B.D. Yu and M. Scheffler: Physical origin of exchange diffusion on fcc(100) metal surfaces. Physical Review B 56 (24), R15569–R15572 (1997).
Journal Article
P. Alippi, P.M. Marcus and M. Scheffler: Strained tetragonal states and bain paths in metals. Physical Review Letters 78 (20), 3892–3895 (1997).
Journal Article
M. Arnold, 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).
Journal Article
M. Bockstedte, 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).
Journal Article
M. Bockstedte and M. Scheffler: Theory of Self-Diffusion in GaAs. Zeitschrift für Physikalische Chemie 200 (1-2), 195–207 (1997).
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