Publications of Matthias Scheffler
All genres
Journal Article (605)
241.
Journal Article
Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy calculations. Ψk Newsletter (79), pp. 163 - 189 (2007)
242.
Journal Article
75 (4), 049901 (2007)
Erratum: Composition, structure, and stability of RuO2(110) as a function of oxygen pressure [Phys. Rev. B 65, 035406 (2001)]. Physical Review B 243.
Journal Article
98 (4), 046101 (2007)
First-principles statistical mechanics study of the stability of a subnanometer thin surface oxide in reactive environments: CO oxidation at Pd(100). Physical Review Letters 244.
Journal Article
9 (5), pp. 1 - 15 (2007)
Ab initio study of half-metal to metal transition in strained magnetite. New Journal of Physics 245.
Journal Article
176 (1), pp. 1 - 13 (2007)
Dielectric anisotropy in the GW space-time method. Computer Physics Communications 246.
Journal Article
6 (12), pp. 27 - 30 (2007)
Expedition zwischen Physik und Chemie: Chemie-Nobelpreis 2007 an Gerhard Ertl. Physik Journal 247.
Journal Article
74 (24), 245328 (2006)
Surface reconstructions and atomic ordering in InxGa1-xAs(001) films: A density-functional theory study. Physical Review B 248.
Journal Article
74 (24), 245208 (2006)
Exact-exchange-based quasiparticle energy calculations for the band gap, effective masses, and deformation potentials of ScN. Physical Review B 249.
Journal Article
97 (22), 226401 (2006)
Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110). Physical Review Letters 250.
Journal Article
74 (20), 205305 (2006)
Epitaxy of Mn on Si(001): Adsorption, surface diffusion, and magnetic properties studied by density-functional theory. Physical Review B 251.
Journal Article
89 (16), 161919 (2006)
Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory. Applied Physics Letters 252.
Journal Article
74 (11), 115408 (2006)
Orientation-dependent surface and step energies of Pb from first principles. Physical Review B 253.
Journal Article
74 (11), 113401 (2006)
Quantum size effect in Pb(100) films: Role of symmetry and implications for film growth. Physical Review B 254.
Journal Article
31 (9), pp. 669 - 674 (2006)
Density functional theory in surface science and heterogeneous catalysis. MRS Bulletin 255.
Journal Article
97 (4), 046802 (2006)
"Textbook" adsorption at "nontextbook" adsorption sites: Halogen atoms on alkali halide surfaces. Physical Review Letters 256.
Journal Article
8 (5), 65 (2006)
The stability of vicinal surfaces and the equilibrium crystal shape of Pb by first principles theory. New Journal of Physics 257.
Journal Article
96 (14), 146101 (2006)
Revisiting the structure of the p(4 x 4) surface oxide on Ag(111). Physical Review Letters 258.
Journal Article
73 (11), 115431 (2006)
Descriptions of surface chemical reactions using a neural network representation of the potential-energy surface. Physical Review B 259.
Journal Article
96 (4), 046806 (2006)
Structural, electronic, and chemical properties of nanoporous carbon. Physical Review Letters 260.
Journal Article
73 (4), 045433 (2006)
First-principles kinetic Monte Carlo simulations for heterogeneous catalysis: Application to the CO oxidation at RuO2(110). Physical Review B