publication

1997

Journal Article

Bockstedte, Michel, Alexander Kley, Jörg Neugebauer and Matthias Scheffler: Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics.

MPG.PuRe

DOI

pre-print

Journal Article

Bockstedte, Michel and Matthias Scheffler: Theory of Self-Diffusion in GaAs.

MPG.PuRe

DOI

pre-print

Journal Article

Cho, Jun-Hyung and Matthias Scheffler: Surface relaxation and ferromagnetism of Rh(001).

MPG.PuRe

DOI

pre-print

Journal Article

Ganduglia-Pirovano, Maria Veronica, J. Kudrnovský and Matthias Scheffler: Adlayer core-level shifts of random metal overlayers on transition-metal substrates.

MPG.PuRe

DOI

publisher-version

Journal Article

Groß, Axel, Michel Bockstedte and Matthias Scheffler: Ab initio molecular dynamics study of the desorption of D₂ from Si(100).

MPG.PuRe

DOI

pre-print

Journal Article

Groß, Axel and Matthias Scheffler: Role of zero-point effects in catalytic reactions involving hydrogen.

MPG.PuRe

DOI

pre-print

Journal Article

Groß, Axel and Matthias Scheffler: Steering and ro-vibrational effects on dissociative adsorption and associative desorption of H₂Pd(100).

MPG.PuRe

DOI

pre-print

Journal Article

Kley, Alexander, Paolo Ruggerone and Matthias Scheffler: Novel diffusion mechanism on the GaAs (001) surface: the role of adatom-dimer interaction.

MPG.PuRe

DOI

pre-print

Journal Article

Kohler, Bernd, Paolo Ruggerone and Matthias Scheffler: Ab initio study of the anomalies in the He-atom-scattering spectra of H/Mo(110) and H/W(110).

MPG.PuRe

DOI

pre-print

Journal Article

Narasimhan, Shobhana and Matthias Scheffler: A Model for the Thermal Expansion of Ag(111) and other Metal Surfaces.

MPG.PuRe

DOI

Journal Article

Pehlke, Eckard, Nikolaj Moll, Alexander Kley and Matthias Scheffler: Shape and stability of quantum dots.

MPG.PuRe

DOI

Journal Article

Ratsch, Christian, Ari P. Seitsonen and Matthias Scheffler: Strain dependence of surface diffusion: Ag on Ag(111) and Pt(111).

MPG.PuRe

DOI

Journal Article

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

MPG.PuRe

Journal Article

Ruggerone, Paolo, Alexander Kley and Matthias Scheffler: Microscopic aspects of homoepitaxial growth.

MPG.PuRe

DOI

Journal Article

Stampfl, Catherine and Matthias Scheffler: Mechanism of efficient carbon monoxide oxidation at Ru(0001).

MPG.PuRe

DOI

Journal Article

Stampfl, Catherine and Matthias Scheffler: Study of CO oxidation over Ru(0001) at high gas pressures.

MPG.PuRe

DOI

Journal Article

Stampfl, Catherine and Matthias Scheffler: Anomalous behavior of Ru for catalytic oxidation: A theoretical study of the catalytic reaction CO + 1/2 O₂ → CO₂.

MPG.PuRe

DOI

Full

Journal Article

Tomanek, David, Steffen Wilke and Matthias Scheffler: Hydrogen-induced polymorphism of the Pd(110) surface.

MPG.PuRe

DOI

Journal Article

Yu, Byung Deok and Matthias Scheffler: Physical origin of exchange diffusion on fcc(100) metal surfaces.

MPG.PuRe

DOI

publisher-version