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
13 papers · 2 filters
Measuring excitation-energy transfer with a real-time time-dependent density functional theory approach
Dirk Hofmann, Heiko Appel, Massimiliano Di Ventra +1
We investigate the time an electronic excitation travels in a supermolecular setup using a measurement process in an open quantum-system framework. The approach is based on the sto…
Autocatalytic and cooperatively-stabilized dissociation of water on a stepped platinum surface
Davide Donadio, Luca M. Ghiringhelli, Luigi Delle Site
Water-metal interfaces are ubiquitous and play a key role in many chemical processes, from catalysis to corrosion. Whereas water adlayers on atomically flat transition metal surfac…
Electrodynamic Response and Stability of Molecular Crystals
Bohdan Schatschneider, Jian-Jie Liang, Anthony M. Reilly +3
We show that electrodynamic dipolar interactions, responsible for long-range fluctuations in matter, play a significant role in the stability of molecular crystals. Density functio…
A Benchmark of GW Methods for Azabenzenes: Is the GW Approximation Good Enough?
Noa Marom, Fabio Caruso, Xinguo Ren +6
Many-body perturbation theory in the GW approximation is a useful method for describing electronic properties associated with charged excitations. A hierarchy of GW methods exists,…
Benzene Adsorbed on Metals: Concerted Effect of Covalency and van der Waals Bonding
Wei Liu, Javier Carrasco, Biswajit Santra +3
The adsorption of aromatic molecules on metal surfaces plays a key role in condensed matter physics and functional materials. Depending on the strength of the interaction between t…
Coherent excitations and electron phonon coupling in Ba/EuFe_2As_2 compounds investigated by femtosecond time- and angle-resolved photoemission spectroscopy
Isabella Avigo, Rocio Cortés, Laurenz Rettig +8
We employed femtosecond time- and angle-resolved photoelectron spectroscopy to analyze the response of the electronic structure of the 122 Fe-pnictide parent compounds Ba/EuFe_2As_…
Au-Pt Core-Shell Nanoemitters on Silicon for Photoelectrochemical Solar Energy Conversion
M. Lublow, B. Bouabadi, S. Kubala
Plasmonic Au-Pt core-shell heterojunctions were prepared as nanoemitters at pre-structured porous SiO2/Si interfaces. Silicon templates were obtained by oscillatory photocurrent cy…
Ultrafast Optical Excitation of a Persistent Surface-State Population in the Topological Insulator Bi2Se3
Jonathan A. Sobota, Shuolong Yang, James G. Analytis +4
Using femtosecond time- and angle- resolved photoemission spectroscopy, we investigated the nonequilibrium dynamics of the topological insulator Bi2Se3. We studied p-type Bi2Se3, i…
Random-phase approximation and its applications in computational chemistry and materials science
Xinguo Ren, Patrick Rinke, Christian Joas +1
The random-phase approximation (RPA) as an approach for computing the electronic correlation energy is reviewed. After a brief account of its basic concept and historical developme…
Unified description of ground and excited states of finite systems: the self-consistent GW approach
Fabio Caruso, Patrick Rinke, Xinguo Ren +2
GW calculations with fully self-consistent G and W -- based on the iterative solution of the Dyson equation -- provide an approach for consistently describing ground and excited st…
Extraordinary epitaxial alignment of graphene islands on Au(111)
Joseph M. Wofford, Elena Starodub, Andrew L. Walter +7
Pristine, single-crystalline graphene displays a unique collection of remarkable electronic properties that arise from its two-dimensional, honeycomb structure. Using in-situ low-e…
Non-adiabatic effects during the dissociative adsorption of O2 at Ag(111)? A first-principles divide and conquer study
Itziar Goikoetxea, Juan Beltrán, Jörg Meyer +3
We study the gas-surface dynamics of O2 at Ag(111) with the particular objective to unravel whether electronic non-adiabatic effects are contributing to the experimentally establis…
The role of non-local exchange in the electronic structure of correlated oxides
Federico Iori, Matteo Gatti, Angel Rubio
We present a systematic study of the electronic structure of several prototypical correlated transition-metal oxides: VO2, V2O3, Ti2O3, LaTiO3, and YTiO3. In all these materials, i…