Publications of Matthias Scheffler
All genres
Journal Article (600)
2007
Journal Article
and M. Scheffler: Expedition zwischen Physik und Chemie: Chemie-Nobelpreis 2007 an Gerhard Ertl. Physik Journal 6 (12), 27–30 (2007).
2006
Journal Article
, P. Kratzer and M. Scheffler: Surface reconstructions and atomic ordering in InxGa1-xAs(001) films: A density-functional theory study. Physical Review B 74 (24), 245328 (2006).
Journal Article
, P. Rinke, M. Scheffler and : Exact-exchange-based quasiparticle energy calculations for the band gap, effective masses, and deformation potentials of ScN. Physical Review B 74 (24), 245208 (2006).
Journal Article
M. Hedström, A. Schindlmayr, G. Schwarz and M. Scheffler: Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110). Physical Review Letters 97 (22), 226401 (2006).
Journal Article
M. Hortamani, H. Wu, P. Kratzer and M. Scheffler: Epitaxy of Mn on Si(001): Adsorption, surface diffusion, and magnetic properties studied by density-functional theory. Physical Review B 74 (20), 205305 (2006).
Journal Article
P. Rinke, M. Scheffler, , , and : Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory. Applied Physics Letters 89 (16), 161919 (2006).
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D. Yu, and M. Scheffler: Orientation-dependent surface and step energies of Pb from first principles. Physical Review B 74 (11), 115408 (2006).
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D. Yu, M. Scheffler and : Quantum size effect in Pb(100) films: Role of symmetry and implications for film growth. Physical Review B 74 (11), 113401 (2006).
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, M. Scheffler and : Density functional theory in surface science and heterogeneous catalysis. MRS Bulletin 31 (9), 669–674 (2006).
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B. Li, A. Michaelides and M. Scheffler: "Textbook" adsorption at "nontextbook" adsorption sites: Halogen atoms on alkali halide surfaces. Physical Review Letters 97 (4), 046802 (2006).
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D. Yu, and M. Scheffler: The stability of vicinal surfaces and the equilibrium crystal shape of Pb by first principles theory. New Journal of Physics 8 (5), 65 (2006).
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, A. Michaelides, , , K. Reuter, , M. Scheffler and : Revisiting the structure of the p(4 x 4) surface oxide on Ag(111). Physical Review Letters 96 (14), 146101 (2006).
Journal Article
S. Lorenz, M. Scheffler and : Descriptions of surface chemical reactions using a neural network representation of the potential-energy surface. Physical Review B 73 (11), 115431 (2006).
Journal Article
J.M. Carlsson and M. Scheffler: Structural, electronic, and chemical properties of nanoporous carbon. Physical Review Letters 96 (4), 046806 (2006).
Journal Article
K. Reuter and M. Scheffler: First-principles kinetic Monte Carlo simulations for heterogeneous catalysis: Application to the CO oxidation at RuO2(110). Physical Review B 73 (4), 045433 (2006).
Journal Article
, , J. Rogal, A. De Sarkar, K. Reuter and M. Scheffler: Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces. Physical Review B 73 (3), 035404 (2006).
Journal Article
J.L.F. Da Silva, C. Stampfl and M. Scheffler: Converged properties of clean metal surfaces by all-electron first-principles calculations. Surface science 600 (3), 703–715 (2006).
2005
Journal Article
J. Ireta, J. Neugebauer, M. Scheffler, and : Structural transitions in the polyalanine α-Helix under uniaxial strain. Journal of the American Chemical Society 127 (49), 17241–17244 (2005).
Journal Article
H. Wu, P. Kratzer and M. Scheffler: First-principles study of thin magnetic transition-metal silicide films on Si(001). Physical Review B 72 (14), 144425 (2005).
Journal Article
, , M. Fuchs, M. Scheffler, and : Role of semicore states in the electronic structure of group-III nitrides: An exact-exchange study. Physical Review B 72 (15), 155317 (2005).