2.4k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Max Planck SocietyDE178 papers
- Freie Universität BerlinDE80 papers
- Centre National de la Recherche ScientifiqueFR67 papers
- University of the Basque CountryES53 papers
- Technische Universität BerlinDE51 papers
- Goethe University FrankfurtDE42 papers
- Deutsches Elektronen-Synchrotron DESYDE39 papers
- Humboldt-Universität zu BerlinDE37 papers
- Material Physics CenterES36 papers
- Max Planck Institute for the Structure and Dynamics of MatterDE35 papers
- Technical University of MunichDE31 papers
- Lawrence Berkeley National LaboratoryUS30 papers
15 papers · 1 filter
Energetics and Vibrational States for Hydrogen on Pt(111)
S. C. Badescu, P. Salo, T. Ala-Nissila +5
We present a combination of theoretical calculations and experiments for the low-lying vibrational excitations of H and D atoms adsorbed on the Pt(111) surface. The vibrational ban…
Evolutionary reconstruction of networks
Mads Ipsen, Alexander S. Mikhailov
Can a graph specifying the pattern of connections of a dynamical network be reconstructed from statistical properties of a signal generated by such a system? In this model study, w…
Electronic Structure of the c(2x2)O/Cu(001) System
Sergey Stolbov, Abdelkader Kara, Talat S. Rahman
The locally self-consistent real space multiple scattering technique has been applied to calculate the electronic structure and chemical binding for the c(2x2)O/Cu(001) system, as…
Diagrammatic self-energy approximations and the total particle number
Arno Schindlmayr, P. Garcia-Gonzalez, R. W. Godby
There is increasing interest in many-body perturbation theory as a practical tool for the calculation of ground-state properties. As a consequence, unambiguous sum rules such as th…
Ab initio Calculations of Multilayer Relaxations of Stepped Cu Surfaces
Rolf Heid, Klaus Peter Bohnen, Abdelkader Kara +1
We present trends in the multilayer relaxations of several vicinals of Cu(100) and Cu(111) of varying terrace widths and geometry. The electronic structure calculations are based o…
Metastable precursors during the oxidation of the Ru(0001) surface
Karsten Reuter, M. Veronica Ganduglia-Pirovano, Catherine Stampfl +1
Using density-functional theory, we predict that the oxidation of the Ru(0001) surface proceeds via the accumulation of sub-surface oxygen in two-dimensional islands between the fi…
Breathing Current Domains in Globally Coupled Electrochemical Systems: A Comparison with a Semiconductor Model
F. Plenge, P. Rodin, E. Schöll +1
Spatio-temporal bifurcations and complex dynamics in globally coupled intrinsically bistable electrochemical systems with an S-shaped current-voltage characteristic under galvanost…
Replica-symmetry breaking in dynamical glasses
Susanna C. Manrubia, Ugo Bastolla, Alexander S. Mikhailov
Systems of globally coupled logistic maps (GCLM) can display complex collective behaviour characterized by the formation of synchronous clusters. In the dynamical clustering regime…
Composition, structure and stability of RuO_2(110) as a function of oxygen pressure
Karsten Reuter, Matthias Scheffler
Using density-functional theory (DFT) we calculate the Gibbs free energy to determine the lowest-energy structure of a RuO_2(110) surface in thermodynamic equilibrium with an oxyge…
Effect of strain on surface diffusion in semiconductor heteroepitaxy
Evgeni Penev, Peter Kratzer, Matthias Scheffler
We present a first-principles analysis of the strain renormalization of the cation diffusivity on the GaAs(001) surface. For the example of In/GaAs(001)-c(4x4) it is shown that the…
First-principles studies of kinetics in epitaxial growth of III-V semiconductors
P. Kratzer, E. Penev, M. Scheffler
We demonstrate how first-principles calculations using density-functional theory (DFT) can be applied to gain insight into the molecular processes that rule the physics of material…
Composite "zigzag" structures in the 1D complex Ginzburg-Landau equation
Mads Ipsen, Martin van Hecke
We study the dynamics of the one-dimensional complex Ginzburg Landau equation (CGLE) in the regime where holes and defects organize themselves into composite superstructures which…
Surface Core-Level Shifts at an oxygen-rich Ru Surface: O/Ru(0001) vs. RuO_2(110)
Karsten Reuter, Matthias Scheffler
We present density-functional theory calculations of Ru 3d and O 1s surface core-level shifts (SCLSs) at an oxygen-rich Ru(0001) surface, namely for the O(1x1)/Ru(0001) chemisorpti…
Exchange-correlation kernels for excited states in solids
Krzysztof Tatarczyk, Arno Schindlmayr, Matthias Scheffler
The performance of several common approximations for the exchange-correlation kernel within time-dependent density-functional theory is tested for elementary excitations in the hom…
The role of electronic correlation in the Si(100) reconstruction: a quantum Monte Carlo study
Sorcha B. Healy, Claudia Filippi, P. Kratzer +2
Recent low-temperature scanning tunneling experiments have challenged the generally accepted picture of buckled silicon dimers as the ground state reconstruction of the Si(100) sur…