Publications of Matthias Scheffler
All genres
Journal Article (609)
2007
Journal Article
98 (17), 176103 (2007)
Towards an exact treatment of exchange and correlation in materials: Application to the "CO adsorption puzzle" and other systems. Physical Review Letters
Journal Article
75 (11), 115409 (2007)
Nonadiabatic potential-energy surfaces by constrained density-functional theory. Physical Review B
Journal Article
98 (11), 117202 (2007)
Density-functional theory study of half-metallic heterostructures: Interstitial Mn in Si. Physical Review Letters
Journal Article
87 (3), pp. 391 - 397 (2007)
The three-dimensional equilibrium crystal shape of Pb: Recent results of theory and experiment. Applied Physics A
Journal Article
Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy calculations. Ψk Newsletter (79), pp. 163 - 189 (2007)
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
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
Journal Article
9 (5), pp. 1 - 15 (2007)
Ab initio study of half-metal to metal transition in strained magnetite. New Journal of Physics
Journal Article
176 (1), pp. 1 - 13 (2007)
Dielectric anisotropy in the GW space-time method. Computer Physics Communications
Journal Article
6 (12), pp. 27 - 30 (2007)
Expedition zwischen Physik und Chemie: Chemie-Nobelpreis 2007 an Gerhard Ertl. Physik Journal 2006
Journal Article
74 (24), 245328 (2006)
Surface reconstructions and atomic ordering in InxGa1-xAs(001) films: A density-functional theory study. Physical Review B
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
Journal Article
97 (22), 226401 (2006)
Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110). Physical Review Letters
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
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
Journal Article
74 (11), 115408 (2006)
Orientation-dependent surface and step energies of Pb from first principles. Physical Review B
Journal Article
74 (11), 113401 (2006)
Quantum size effect in Pb(100) films: Role of symmetry and implications for film growth. Physical Review B
Journal Article
31 (9), pp. 669 - 674 (2006)
Density functional theory in surface science and heterogeneous catalysis. MRS Bulletin
Journal Article
97 (4), 046802 (2006)
"Textbook" adsorption at "nontextbook" adsorption sites: Halogen atoms on alkali halide surfaces. Physical Review Letters
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