Publications of Matthias Scheffler
All genres
Journal Article (594)
241.
Journal Article
Yu, D., and M. Scheffler: Orientation-dependent surface and step energies of Pb from first principles. Physical Review B 74 (11), 115408 (2006).
242.
Journal Article
Yu, D., 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).
243.
Journal Article
M. Scheffler and : Density functional theory in surface science and heterogeneous catalysis. MRS Bulletin 31 (9), 669–674 (2006).
, 244.
Journal Article
Li, B., A. Michaelides and M. Scheffler: "Textbook" adsorption at "nontextbook" adsorption sites: Halogen atoms on alkali halide surfaces. Physical Review Letters 97 (4), 046802 (2006).
245.
Journal Article
Yu, D., 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).
246.
Journal Article
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).
, 247.
Journal Article
Lorenz, S., 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).
248.
Journal Article
Carlsson, J.M. and M. Scheffler: Structural, electronic, and chemical properties of nanoporous carbon. Physical Review Letters 96 (4), 046806 (2006).
249.
Journal Article
Reuter, K. 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).
250.
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).
, , 251.
Journal Article
Da Silva, J.L.F., C. Stampfl and M. Scheffler: Converged properties of clean metal surfaces by all-electron first-principles calculations. Surface science 600 (3), 703–715 (2006).
252.
Journal Article
Ireta, J., 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).
253.
Journal Article
Wu, H., 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).
254.
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).
, , 255.
Journal Article
Michaelides, A., K. Reuter and M. Scheffler: When seeing is not believing: Oxygen on Ag(111), a simple adsorption system? The Journal of Vacuum Science and Technology A 23 (6), 1487–1497 (2005).
256.
Journal Article
M. Scheffler, and : Surface electronic structure of the Fe3O4(100): Evidence of a half-metal to metal transition. Physical Review B 72 (10), 104436 (2005).
, , , , , 257.
Journal Article
C. Stampfl, , , , M. Scheffler and : Density of configurational states from first-principles calculations: The phase diagram of Al-Na surface alloys. ChemPhysChem 6 (9), 1923–1928 (2005).
, 258.
Journal Article
Da Silva, J.L.F., C. Stampfl and M. Scheffler: Xe adsorption on metal surfaces: First-principles investigations. Physical Review B 72 (7), 075424 (2005).
259.
Journal Article
Rinke, P., A. Qteish, J. Neugebauer, C. Freysoldt and M. Scheffler: Combining GW calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors. New Journal of Physics 7, 126–1-126–35 (2005).
260.
Journal Article
Todorova, M., K. Reuter and M. Scheffler: Density-functional theory study of the initial oxygen incorporation in Pd(111). Physical Review B 71 (19), 195403 (2005).