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
14 papers · 2 filters
Time-Domain Separation of Optical Properties From Structural Transitions in Resonantly Bonded Materials
Lutz Waldecker, Timothy A. Miller, Miquel Rude +6
The extreme electro-optical contrast between crystalline and amorphous states in phase change materials is routinely exploited in optical data storage and future applications inclu…
Localization-dependent charge separation efficiency at an organic/inorganic hybrid interface
Laura Foglia, Lea Bogner, Martin Wolf +1
By combining complementary optical techniques, photoluminescence and time-resolved excited state absorption, we achieve a comprehensive picture of the relaxation processes in the o…
Approaching ideal graphene: The structure of hydrogen-intercalated graphene on 6H-SiC(0001)
J. Sforzini, L. Nemec, T. Denig +9
We measure the adsorption height of hydrogen-intercalated quasi-free-standing monolayer graphene on the (0001) face of 6H silicon carbide by the normal incidence x-ray standing wav…
Graphene-Passivated Nickel as an Oxidation-Resistant Electrode for Spintronics
Bruno Dlubak, Marie-Blandine Martin, Robert S. Weatherup +9
We report on graphene-passivated ferromagnetic electrodes (GPFE) for spin devices. GPFE are shown to act as spin-polarized oxidation-resistant electrodes. The direct coating of nic…
A multi-scale approach to the electronic structure of doped semiconductor surfaces
Ofer Sinai, Oliver T. Hofmann, Patrick Rinke +3
The inclusion of the global effects of semiconductor doping poses a unique challenge for first-principles simulations, because the typically low concentration of dopants renders an…
Ultrafast exciton formation at the ZnO(100) surface
J. -C. Deinert, D. Wegkamp, M. Meyer +3
We study the ultrafast quasiparticle dynamics in and below the ZnO conduction band using femtosecond time-resolved two-photon photoelectron spectroscopy. Above band gap excitation…
Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: Benchmark of cascade genetic algorithms
Saswata Bhattacharya, Sergey V. Levchenko, Luca M. Ghiringhelli +1
A first-principles based methodology for efficiently and accurately finding thermodynamically stable and metastable atomic structures is introduced and benchmarked. The approach is…
First-Principles Description of Charge Transfer in Donor-Acceptor Compounds from Self-Consistent Many-Body Perturbation Theory
Fabio Caruso, Viktor Atalla, Xinguo Ren +3
We investigate charge transfer in prototypical molecular donor-acceptor compounds using hybrid density functional theory (DFT) and the GW approximation at the perturbative level (G…
Inelastic X-ray scattering from valence electrons near absorption edges of FeTe and TiSe
B. Barbiellini, J. N. Hancock, C. Monney +4
We study resonant inelastic x-ray scattering (RIXS) peaks corresponding to low energy particle-hole excited states of metallic FeTe and semi-metallic TiSe for photon incident e…
Germanene: a novel two-dimensional Germanium allotrope akin to Graphene and Silicene
M. E. Dávila, L. Xian, S. Cahangirov +2
Using a gold (111) surface as a substrate we have grown in situ by molecular beam epitaxy an atom-thin, ordered, two-dimensional multi-phase film. Its growth bears strong similarit…
Understanding the origin of band gap formation in graphene on metals: graphene on Cu/Ir(111)
H. Vita, S. Boettcher, K. Horn +5
Understanding the nature of the interaction at the graphene/metal interfaces is the basis for graphene-based electron- and spin-transport devices. Here we investigate the hybridiza…
Quantification of finite-temperature effects on adsorption geometries of -conjugated molecules
G. Mercurio, R. J. Maurer, W. Liu +8
The adsorption structure of the molecular switch azobenzene on Ag(111) is investigated by a combination of normal incidence x-ray standing waves and dispersion-corrected density fu…
Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces
Javier Carrasco, Wei Liu, Angelos Michaelides +1
Exploring the role of van der Waals (vdW) forces on the adsorption of molecules on extended metal surfaces has become possible in recent years thanks to exciting developments in de…
Quantum Electrodynamical Density-Functional Theory: Bridging Quantum Optics and Electronic-Structure Theory
Michael Ruggenthaler, Johannes Flick, Camilla Pellegrini +3
In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized elec…