Publications of Matthias Scheffler
All genres
Journal Article (603)
2007
Journal Article
, Peter Kratzer, Matthias Scheffler, and : Effect of post-growth annealing on the optical properties of InAs/GaAs quantum dots: A tight-binding study.
Journal Article
Santra, Biswajit, Angelos Michaelides and Matthias Scheffler: On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: Benchmarks approaching the complete basis set limit.
Journal Article
, Hakim Meskine, Karsten Reuter, Matthias Scheffler and Horia Metiu: Does phenomenological kinetics provide an adequate description of heterogeneous catalytic reactions?
Journal Article
Wu, Hua, and Matthias Scheffler: Density-functional theory study of half-metallic heterostructures: Interstitial Mn in Si.
2006
Journal Article
Carlsson, Johan M. and Matthias Scheffler: Structural, electronic, and chemical properties of nanoporous carbon.
Journal Article
, Peter Kratzer and Matthias Scheffler: Surface reconstructions and atomic ordering in InxGa1-xAs(001) films: A density-functional theory study.
Journal Article
Da Silva, Juarez L.F., Catherine Stampfl and Matthias Scheffler: Converged properties of clean metal surfaces by all-electron first-principles calculations.
Journal Article
Hedström, Magnus, Arno Schindlmayr, Günther Schwarz and Matthias Scheffler: Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110).
Journal Article
Hortamani, Mahbube, Hua Wu, Peter Kratzer and Matthias Scheffler: Epitaxy of Mn on Si(001): Adsorption, surface diffusion, and magnetic properties studied by density-functional theory.
Journal Article
, , Jutta Rogal, Abir De Sarkar, Karsten Reuter and Matthias Scheffler: Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces.
Journal Article
Li, Bo, Angelos Michaelides and Matthias Scheffler: "Textbook" adsorption at "nontextbook" adsorption sites: Halogen atoms on alkali halide surfaces.
Journal Article
Lorenz, Sönke, Matthias Scheffler and : Descriptions of surface chemical reactions using a neural network representation of the potential-energy surface.
Journal Article
, Matthias Scheffler and : Density functional theory in surface science and heterogeneous catalysis.
Journal Article
, Patrick Rinke, Matthias Scheffler and : Exact-exchange-based quasiparticle energy calculations for the band gap, effective masses, and deformation potentials of ScN.
Journal Article
Reuter, Karsten and Matthias Scheffler: First-principles kinetic Monte Carlo simulations for heterogeneous catalysis: Application to the CO oxidation at RuO2(110).
Journal Article
Rinke, Patrick, Matthias Scheffler, , , and : Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory.
Journal Article
, Angelos Michaelides, , , Karsten Reuter, , Matthias Scheffler and : Revisiting the structure of the p(4 x 4) surface oxide on Ag(111).
Journal Article
Yu, Dengke, and Matthias Scheffler: Orientation-dependent surface and step energies of Pb from first principles.
Journal Article
Yu, Dengke, and Matthias Scheffler: The stability of vicinal surfaces and the equilibrium crystal shape of Pb by first principles theory.
Journal Article
Yu, Dengke, Matthias Scheffler and : Quantum size effect in Pb(100) films: Role of symmetry and implications for film growth.