Publications of Matthias Scheffler

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Groß, Axel, C.-M. Wei and Matthias Scheffler: Poisoning of hydrogen dissociation at Pd(100) by adsorbed sulfur studied by ab initio quantum dynamics and ab initio molecular dynamics.

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Kratzer, Peter, C.G. Morgan and Matthias Scheffler: Density-functional theory studies on microscopic processes of GaAs growth.

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Kratzer, Peter, Eckard Pehlke, Matthias Scheffler, M.B. Raschke and U. Höfer: Highly site-specific H₂ adsorption on vicinal Si(001) surfaces.

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Moll, Nikolaj, Matthias Scheffler and Eckard Pehlke: Influence of surface stress on the equilibrium shape of strained quantum dots.

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Neugebauer, Jörg, Tosja K. Zywietz, Matthias Scheffler, John E. Northrup and Chris G. Van de Walle: Clean and As-covered zinc-blende GaN (001) surfaces: Novel surface structures and surfactant behavior.

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Pohl, K., Jun-Hyung Cho, K. Terakura, Matthias Scheffler and E.W. Plummer: Anomalously large thermal expansion at the (0001) surface of beryllium without observable interlayer anharmonicity.

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Ratsch, Christian and Matthias Scheffler: Density-functional theory calculations of hopping rates of surface diffusion.

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Ruggerone, Paolo, Alexander Kley and Matthias Scheffler: Bridging the length and time scales: from ab initio electronic structure calculations to macroscopic proportions.

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Schwarz, Günther, Alexander Kley, Jörg Neugebauer, Jörg Neugebauer and Matthias Scheffler: Electronic and structural properties of vacancies on and below the GaP(110) surface.

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Schwegmann, S., Ari P. Seitsonen, Valentina De Renzi, H. Dietrich, H. Bludau, M. Gierer, Herbert Over, Karl Jacobi, Matthias Scheffler and Gerhard Ertl: Oxygen adsorption on the Ru(101¯0) surface: Anomalous coverage dependence.

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Stampfl, Catherine, K. Kambe, R. Fasel, P. Aebi and Matthias 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.

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Stampfl, Catherine and Matthias Scheffler: Coadsorption of CO and O on Ru(0001): A structural analysis by density functional theory.

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Wagner, F., T. Laloyaux and Matthias Scheffler: Errors in Hellmann-Feynman forces due to occupation-number broadening and how they can be corrected.

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Wang, Xiao-Gang, Werner Weiss, Shamil K. Shaikhutdinov, Michael Ritter, Max Petersen, F. Wagner, Robert Schlögl and Matthias Scheffler: The Hematite (α-Fe₂O₃) (0001) Surface: Evidence for Domains of Distinct Chemistry.

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Wei, C.M., Axel Groß and Matthias Scheffler: Ab initio calculation of the potential energy surface for the dissociation of H₂ on the sulfur-covered Pd(100) surface.

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Xie, Jianjun and Matthias Scheffler: Structure and dynamics of Rh surfaces.

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Zywietz, Tosja K., Jörg Neugebauer and Matthias Scheffler: Adatom diffusion at GaN(0001) and (0001̄) surfaces.

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Zywietz, Tosja K., Jörg Neugebauer, Matthias Scheffler and J.E. Northrup: Novel reconstruction mechanisms: A comparison between group-III-nitrides and "traditional" III-V-semiconductors.

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Zywietz, Tosja K., Jörg Neugebauer, Matthias Scheffler, J.E. Northrup and Chris G. Van de Walle: Surface structures, surfactants and diffusion at cubic and wurtzite GaN.

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