Publications of Matthias Scheffler

Journal Article (605)

161.
Journal Article
Zhang, G.-X., A. Tkatchenko, J. Paier, H. Appel and M. Scheffler: Van der Waals Interactions in Ionic and Semiconductor Solids. Physical Review Letters 107 (24), 245501 (2011).
162.
Journal Article
Marom, N., A. Tkatchenko, M. Rossi, V. Gobre, O. Hod, M. Scheffler and L. Kronik: Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals. Journal of Chemical Theory and Computation 7 (12), 3944–3951 (2011).
163.
Journal Article
Santra, B., J. Klimes, D. Alfè, A. Tkatchenko, B. Slater, A. Michaelides, R. Car and M. Scheffler: Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures. Physical Review Letters 107 (18), 185701 (2011).
164.
Journal Article
Estreicher, S.K., D.J. Backlund, C. Carbogno and M. Scheffler: Activation Energies for Diffusion of Defects in Silicon: The Role of the Exchange-Correlation Functional. Angewandte Chemie International Edition 50 (43), 10221–10225 (2011).
165.
Journal Article
Freund, H.-J., G. Meijer, M. Scheffler, R. Schlögl and M. Wolf: Die CO-Oxidation als Modellreaktion für heterogene Prozesse. Angewandte Chemie 123 (43), 10242–10275 (2011).
166.
Journal Article
Freund, H.-J., G. Meijer, M. Scheffler, R. Schlögl and M. Wolf: CO oxidation as a prototypical reaction for heterogeneous processes. Angewandte Chemie International Edition 50 (43), 10064–10094 (2011).
167.
Journal Article
Beret, E.C., L.M. Ghiringhelli and M. Scheffler: Free gold clusters: beyond the static, monostructure description. Faraday Discussions 152 (1), 153–167 (2011).
168.
Journal Article
Yoon, M., Y. Miyamoto and M. Scheffler: Enhanced dipole moments in photo-excited TTF–TCNQ dimers. New Journal of Physics 13 (7), 073039 (2011).
169.
Journal Article
Ren, X., A. Tkatchenko, P. Rinke and M. Scheffler: Beyond the Random-Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations. Physical review letters 106, 153003 (2011).
170.
Journal Article
Tkatchenko, A., M. Rossi, V. Blum, J. Ireta and M. Scheffler: Unraveling the Stability of Polypeptide Helices: Critical Role of van der Waals Interactions. Physical Review Letters 106, 118102 (2011).
171.
Journal Article
Arndt, S., G. Laugel, S.V. Levchenko, R. Horn, M. Baerns, M. Scheffler, R. Schlögl and R. Schomäcker: A Critical Assessment of Li/MgO-Based Catalysts for the Oxidative Coupling of Methane. Catalysis Reviews: Science and Engineering 53 (4), 424–514 (2011).
172.
Journal Article
Fichthorn, K.A., Y. Tiwary, T. Hammerschmidt, P. Kratzer and M. Scheffler: Analytic many-body potential for GaAs(001) homoepitaxy: Bulk and surface properties. Physical Review B 83, 195328 (2011).
173.
Journal Article
Yan, Q., P. Rinke, M. Winkelnkemper, A. Qteish, D. Bimberg, M. Scheffler and C.G. Van de Walle: Band parameters and strain effects in ZnO and group-III nitrides. Semiconductor Science and Technology 26, 014037 (2011).
174.
Journal Article
Havu, P., V. Blum, V. Havu, P. Rinke and M. Scheffler: Large-scale surface reconstruction energetics of Pt(100) and Au(100) by all-electron density functional theory. Physical Review B, in press.
175.
Journal Article
Jiang, H., R.I. Gomez-Abal, P. Rinke and M. Scheffler: First-principles modeling of localized d states with the GW@LDA+U approach. Physical Review B 82 (4), 045108 (2010).
176.
Journal Article
Myrach, P., N. Nilius, S.V. Levchenko, A. Gonchar, T. Risse, K.-P. Dinse, L.A. Boatner, W. Frandsen, R. Horn, H.-J. Freund, R. Schlögl and M. Scheffler: Temperature-Dependent Morphology, Magnetic and Optical Properties of Li-Doped MgO. ChemCatChem: heterogeneous & homogeneous & bio-catalysis 2 (7), 854–862 (2010).
177.
Journal Article
Mulakaluri, N., R. Pentcheva and M. Scheffler: Coverage-dependent adsorption mode of water on Fe3O4(001): Insights from first principles calculations. Journal of Physical Chemistry C 114 (25), 11148–11156 (2010).
178.
Journal Article
Tkatchenko, A., L. Romaner, O.T. Hofmann, E. Zojer, C. Ambrosch-Draxl and M. Scheffler: Van der Waals interactions between organic adsorbates and at organic/inorganic interfaces. MRS Bulletin 35 (6), 435–442 (2010).
179.
Journal Article
Hammerschmidt, T., P. Kratzer and M. Scheffler: Erratum: Analytic many-body potential for InAsÕGaAs surfaces and nanostructures: Formation energy of InAs quantum dots [Phys. Rev. B 77, 235303 (2008)]. Physical Review B 81 (15), 159905(E) (2010).
180.
Journal Article
Jiang, H., R.I. Gomez-Abal, P. Rinke and M. Scheffler: Electronic band structure of zirconia and hafnia polymorphs from the GW perspective. Physical Review B 81 (8), 085119–1-085119–9 (2010).
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