Publications of Matthias Scheffler
All genres
Journal Article (605)
201.
Journal Article
Carrasco, J., A. Michaelides and M. Scheffler: Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces. The Journal of Chemical Physics 130 (18), 184707–1-184707–11 (2009).
202.
Journal Article
Carlsson, J.M., F. Hanke, S. Linic and M. Scheffler: Two-step mechanism for low-temperature oxidation of vacancies in graphene. Physical Review Letters 102 (16), 166104 (2009).
203.
Journal Article
Jiang, H., R.I. Gómez-Abal, P. Rinke and M. Scheffler: Localized and itinerant states in lanthanide oxides united by GW @ LDA + U. Physical Review Letters 102 (12), 126403 (2009).
204.
Journal Article
Hülsen, B., M. Scheffler and : Thermodynamics of the Heusler alloy Co2-xMn1+xSi: A combined density functional theory and cluster expansion study. Physical Review B 79 (9), 094407 (2009).
205.
Journal Article
Tkatchenko, A. and M. Scheffler: Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data. Physical Review Letters 102 (7), 073005 (2009).
206.
Journal Article
Meskine, H., S. Matera, M. Scheffler, K. Reuter and H. Metiu: Examination of the concept of degree of rate control by first-principles kinetic Monte Carlo simulations. Surface Science 603 (10-12), 1724–1730 (2009).
207.
Journal Article
Rinke, P., , M. Scheffler and : Defect formation energies without the band-gap problem: Combining density-functional theory and the GW approach for the silicon self-interstitial. Physical Review Letters 102 (2), 026402 (2009).
208.
Journal Article
M. Scheffler: Ag-Cu alloy surfaces in an oxidizing environment: A first-principles study. Surface Science 603 (10-12), 1467–1475 (2009).
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Journal Article
M. Scheffler and : Theory of ultrafast dynamics of electron-phonon interactions in two dimensional electron gases: Semiconductor quantum wells, surfaces and graphene. Advances in Solid State Physics 48, 281–292 (2009).
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Journal Article
Li, B., A. Michaelides and M. Scheffler: How strong is the bond between water and salt? Surface Science 602 (23), L135–L138 (2008).
211.
Journal Article
Santra, B., A. Michaelides, M. Fuchs, A. Tkatchenko, and M. Scheffler: On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions. Journal of Chemical Physics 129 (19), 194111–1-194111–14 (2008).
212.
Journal Article
Gómez-Abal, R., X. Li, M. Scheffler and : Influence of the core-valence interaction and of the pseudopotential approximation on the electron self-energy in semiconductors. Physical Review Letters 101 (10), 106404 (2008).
213.
Journal Article
Hortamani, M., , P. Kratzer, and M. Scheffler: Exchange interactions and critical temperature of bulk and thin films of MnSi: A density functional theory study. Physical Review B 78 (10), 104402–1-104402–9 (2008).
214.
Journal Article
M. Scheffler and : Sources of electrical conductivity in SnO2. Physical Review Letters 101 (5), 055502 (2008).
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Journal Article
Freysoldt, C., P. Eggert, P. Rinke, A. Schindlmayr and M. Scheffler: Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach. Physical Review B 77 (23), 235428 (2008).
216.
Journal Article
Buecking, N., P. Kratzer, M. Scheffler and : Linking density functional and density-matrix theory: Picosecond electron relaxation at the Si(100) surface. Physical Review B 77 (23), 233305–1-233305–4 (2008).
217.
Journal Article
Hammerschmidt, T., P. Kratzer and M. Scheffler: Analytic many-body potential for InAs/GaAs surfaces and nanostructures: Formation energy of InAs quantum dots. Physical Review B 77 (23), 235303–1-235303–16 (2008).
218.
Journal Article
Rogal, J., K. Reuter and M. Scheffler: CO oxidation on Pd(100) at technologically relevant pressure conditions: First-principles kinetic Monte Carlo study. Physical Review B 77 (15), 155410–1-155410–12 (2008).
219.
Journal Article
Behler, J., K. Reuter and M. Scheffler: Nonadiabatic effects in the dissociation of oxygen molecules at the Al(111) surface. Physical Review B 77 (11), 115421–1-115421–16 (2008).
220.
Journal Article
M. Scheffler: First-principles investigation of Ag-Cu alloy surfaces in an oxidizing environment. Physical Review B 77 (7), 075426 (2008).
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