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
27 papers · 1 filter
Advanced switching schemes in a Stark decelerator
Dongdong Zhang, Nicolas Vanhecke, Gerard Meijer
We revisit the operation of the Stark decelerator and present a new, optimized operation scheme, which substantially improves the efficiency of the decelerator at both low and high…
Exact Maps in Density Functional Theory for Lattice Models
Tanja Dimitrov, Heiko Appel, Johanna I. Fuks +1
In the present work, we employ exact diagonalization for model systems on a real-space lattice to explicitly construct the exact density-to-potential and for the first time the exa…
Observation of the Efimov state of the helium trimer
Maksim Kunitski, Stefan Zeller, Jörg Voigtsberger +9
Quantum theory dictates that upon weakening the two-body interaction in a three-body system, an infinite number of three-body bound states of a huge spatial extent emerge just befo…
A nanofocused plasmon-driven sub-10 femtosecond electron point source
Melanie Müller, Vasily Kravtsov, Alexander Paarmann +2
Progress in ultrafast electron microscopy relies on the development of efficient laser-driven electron sources delivering femtosecond electron pulses to the sample. In particular,…
Equilibrium microphase separation in the two-leaflet model of lipid membranes
Ramon Reigada, Alexander S. Mikhailov
A novel two-leaflet description of lipid membranes is proposed. Within its framework, phase separation phenomena in multicomponent biological membranes are analyzed. As we show, in…
Itinerant and localized magnetization dynamics in antiferromagnetic Ho
L. Rettig, C. Dornes, N. Thielemann-Kuehn +12
Using femtosecond time-resolved resonant magnetic x-ray diffraction at the Ho L3 absorption edge, we investigate the demagnetization dynamics in antiferromagnetically ordered metal…
Ultrafast photocurrents at the surface of the three-dimensional topological insulator
Lukas Braun, Gregor Mussler, Andrzej Hruban +6
Topological insulators constitute a new and fascinating class of matter with insulating bulk yet metallic surfaces that host highly mobile charge carriers with spin-momentum lockin…
Efficient metallic spintronic emitters of ultrabroadband terahertz radiation
T. Seifert, S. Jaiswal, U. Martens +18
Terahertz electromagnetic radiation is extremely useful for numerous applications such as imaging and spectroscopy. Therefore, it is highly desirable to have an efficient table-top…
Trapping molecules on chips
Gabriele Santambrogio
In the last years, it was demonstrated that neutral molecules can be loaded on a microchip directly from a supersonic beam. The molecules are confined in microscopic traps that can…
A Materials Perspective on Casimir and van der Waals Interactions
L. M. Woods, D. A. R. Dalvit, A. Tkatchenko +3
Interactions induced by electromagnetic fluctuations, such as van der Waals and Casimir forces, are of universal nature present at any length scale between any types of systems wit…
Kohn-Sham Approach to Quantum Electrodynamical Density Functional Theory: Exact Time-Dependent Effective Potentials in Real Space
Johannes Flick, Michael Ruggenthaler, Heiko Appel +1
The density-functional approach to quantum electrodynamics is extending traditional density-functional theory and opens the possibility to describe electron-photon interactions in…
Many-body Green's function theory for electron-phonon interactions: the Kadanoff-Baym approach to spectral properties of the Holstein dimer
N. Säkkinen, Y. Peng, H. Appel +1
We present a Kadanoff-Baym formalism to study time-dependent phenomena for systems of interacting electrons and phonons in the framework of many-body perturbation theory. The forma…
Electron-phonon coupling and energy flow in a simple metal beyond the two-temperature approximation
Lutz Waldecker, Roman Bertoni, Jan Vorberger +1
The electron-phonon coupling and the corresponding energy exchange was investigated experimentally and by ab initio theory in non-equilibrium states of the free-electron metal alum…
Exploring N-rich phases in LixNy clusters for hydrogen storage at nano-scale
Amrita Bhattacharya, Saswata Bhattacharya
We have performed cascade genetic algorithm and ab initio atomistic thermodynamics under the framework of first-principles density functional theory to study the (meta-)stability o…
Many-body dispersion effects in the binding of adsorbates on metal surfaces
Reinhard J. Maurer, Victor G. Ruiz, Alexandre Tkatchenko
A correct description of electronic exchange and correlation effects for molecules in contact with extended (metal) surfaces is a challenging task for first-principles modeling. In…
Self-Consistent Green Function Embedding for Advanced Electronic Structure Methods Based on a Dynamical Mean-Field Concept
Wael Chibani, Xinguo Ren, Matthias Scheffler +1
We present an embedding scheme for periodic systems that facilitates the treatment of the physically important part (here the unit cell) with advanced electronic-structure methods,…
Coherent ultrafast spin-dynamics probed in three dimensional topological insulators
F. Boschini, M. Mansurova, G. Mussler +12
Topological insulators are candidates to open up a novel route in spin based electronics. Different to traditional ferromagnetic materials, where the carrier spin-polarization and…
First-principles molecular structure search with a genetic algorithm
Adriana Supady, Volker Blum, Carsten Baldauf
The identification of low-energy conformers for a given molecule is a fundamental problem in computational chemistry and cheminformatics. We assess here a conformer search that emp…
First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids
Matti Ropo, Markus Schneider, Carsten Baldauf +1
We present a structural data set of the 20 proteinogenic amino acids and their amino-methylated and acetylated (capped) dipeptides. Different protonation states of the backbone (un…
Why graphene growth is very different on the C face than on the Si face of SiC: Insights from surface equilibria and the (33)-3C-SiC() reconstruction
Lydia Nemec, Florian Lazarevic, Patrick Rinke +2
We address the stability of the surface phases that occur on the C-side of 3C-SiC() at the onset of graphene formation. In this growth range, experimental…
Hydrodynamic Collective Effects of Active Protein Machines in Solution and Lipid Bilayers
Alexander Mikhailov, Raymond Kapral
The cytoplasm and biomembranes in biological cells contain large numbers of proteins that cyclically change their shapes. They are molecular machines that can function as molecular…
Length Dependence of Ionization Potentials of Trans-Acetylenes: Internally-Consistent DFT/GW Approach
Max Pinheiro, Marilia J. Caldas, Patrick Rinke +2
We follow the evolution of the Ionization Potential (IP) for the paradigmatic quasi-one-dimensional trans-acetylene family of conjugated molecules, from short to long oligomers and…
Local Aspects of Hydrogen-Induced Metallization of the ZnO(100) Surface
J. -C. Deinert, O. T. Hofmann, M. Meyer +2
This study combines surface-sensitive photoemission experiments with density functional theory (DFT) to give a microscopic description of H adsorption-induced modifications of the…
Computational Design of Nanoclusters by Property-Based Genetic Algorithms: Tuning the Electronic Properties of (TiO) Clusters
Saswata Bhattacharya, Benjamin H. Sonin, Christopher J. Jumonville +2
In order to design clusters with desired properties, we have implemented a suite of genetic algorithms tailored to optimize for low total energy, high vertical electron affinity (V…