Publications of Matthias Scheffler

Journal Article

Ireta, Joel, Jörg Neugebauer, Matthias Scheffler, Arturo Rojo and Marcelo Galván: Structural transitions in the polyalanine α-Helix under uniaxial strain.

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Journal Article

Michaelides, Angelos, Karsten Reuter and Matthias Scheffler: When seeing is not believing: Oxygen on Ag(111), a simple adsorption system?

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Journal Article

Pentcheva, Rossitza, F. Wendler, H.L. Meyerheim, W. Moritz, N. Jedrecy and Matthias Scheffler: Jahn-Teller stabilization of a "polar" metal oxide surface: Fe₃O₄(001).

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Journal Article

Qteish, Abdallah, Abdullah I. Al-Sharif, Martin Fuchs, Matthias Scheffler, Sixten Boeck and Jörg Neugebauer: Role of semicore states in the electronic structure of group-III nitrides: An exact-exchange study.

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Journal Article

Qteish, Abdallah, Abdullah I. Al-Sharif, Martin Fuchs, Matthias Scheffler, Sixten Boeck and Jörg Neugebauer: Exact-exchange calculations of the electronic structure of AlN, GaN and InN.

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Journal Article

Ratsch, Christian, André Fielicke, A. Kirilyuk, Jörg Behler, Gert von Helden, Gerard Meijer and Matthias Scheffler: Structure determination of small vanadium clusters by density-functional theory in comparison with experimental far-infrared spectra.

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Journal Article

Rinke, Patrick, Abdallah Qteish, Jörg Neugebauer, Christoph Freysoldt and Matthias Scheffler: Combining GW calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors.

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Full

Journal Article

Todorova, Mira, Karsten Reuter and Matthias Scheffler: Density-functional theory study of the initial oxygen incorporation in Pd(111).

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Journal Article

Wu, Hua, Peter Kratzer and Matthias Scheffler: First-principles study of thin magnetic transition-metal silicide films on Si(001).

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2004

Journal Article

Duplock, Elizabeth J., Matthias Scheffler and Philip J.D. Lindan: Hallmark of perfect graphene.

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Journal Article

Fichthorn, Kristen and Matthias Scheffler: A step up to self-assembly.

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Journal Article

Fielicke, André, Andrei Kirilyuk, Christian Ratsch, Jörg Behler, Matthias Scheffler, Gert von Helden and Gerard Meijer: Structure Determination of Isolated Metal Clusters via Far-Infrared Spectroscopy.

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Journal Article

Ireta, Joel, Jörg Neugebauer and Matthias Scheffler: On the accuracy of DFT for describing hydrogen bonds: Dependence on the bond directionality.

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Journal Article

Lee, Seung Mi, Sung-Hoon Lee and Matthias Scheffler: Adsorption and diffusion of a Cl adatom on the GaAs(001)-c(8x2) ζ surface.

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Journal Article

Lorenz, Sönke, Axel Groß and Matthias Scheffler: Representing high-dimensional potential-energy surfaces for reactions at surfaces by neural networks.

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Journal Article

Lundgren, E., J. Gustafson, A. Mikkelsen, J.N. Andersen, A. Stierle, H. Dosch, Mira Todorova, Jutta Rogal, Karsten Reuter and Matthias Scheffler: Kinetic hindrance during the initial oxidation of Pd(100) at ambient pressures.

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Journal Article

Penev, Evgeni, Peter Kratzer and Matthias Scheffler: Atomic structure of the GaAs(001)-c(4 x 4) surface: first-principles evidence for diversity of heterodimer motifs.

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Journal Article

Penev, Evgeni, Sladana Stojkovic, Peter Kratzer and Matthias Scheffler: Anisotropic diffusion of In adatoms on pseudomorphic In_xGa_1-xAs(001) films: First-principles total energy calculations.

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Journal Article

Reuter, Karsten, Daan Frenkel and Matthias Scheffler: The steady state of heterogeneous catalysis, studied by first-principles statistical mechanics.

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