Publications of Matthias Scheffler

Journal Article

Borg, Mikael, Catherine Stampfl, Anders Mikkelsen, Johan Gustafson, Edvin Lundgren, Matthias Scheffler and Jesper N. Andersen: Density of configurational states from first-principles calculations: The phase diagram of Al-Na surface alloys.

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Journal Article

Da Silva, Juarez L.F., Catherine Stampfl and Matthias Scheffler: Xe adsorption on metal surfaces: First-principles investigations.

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Journal Article

Fonin, M., R. Pentcheva, Yu. S. Dedkov, M. Sperlich, D.V. Vyalikh, Matthias Scheffler, U. Rüdiger and G. Güntherodt: Surface electronic structure of the Fe₃O₄(100): Evidence of a half-metal to metal transition.

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Journal Article

Hashemifar, S.Javad, Peter Kratzer and Matthias Scheffler: Preserving the half-metallicity at the Heusler alloy Co₂MnSi(001) surface: A density functional theory study.

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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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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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