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
40 papers · 1 filter
Theory of the special displacement method for electronic structure calculations at finite temperature
Marios Zacharias, Feliciano Giustino
Calculations of electronic and optical properties of solids at finite temperature including electron-phonon interactions and quantum zero-point renormalization have enjoyed conside…
Multiple photodetachment of carbon anions via single and double core-hole creation
A. Perry-Sassmannshausen, T. Buhr, A. Borovik +8
We report on new measurements of m-fold photodetachment (m=2-5) of carbon anions via K-shell excitation and ionization. The experiments were carried out employing the photon-ion me…
coefficients for interacting Rydberg atoms and alkali-metal dimers
Vanessa Olaya, Jesús Pérez-Ríos, Felipe Herrera
We study the van der Waals interaction between Rydberg alkali-metal atoms with fine structure (; ) and heteronuclear alkali-metal dimers in the ground rovibrationa…
Artifcial-intelligence-driven discovery of catalyst \textit{genes} with application to CO2 activation on semiconductor oxides
Aliaksei Mazheika, Yanggang Wang, Rosendo Valero +5
Catalytic-materials design requires predictive modeling of the interaction between catalyst and reactants. This is challenging due to the complexity and diversity of structure-prop…
On the -doubling in the B state of TlF
Gerard Meijer, Boris G. Sartakov
Thallium monofluoride (TlF) is a prime candidate molecule for precision measurements aimed at discovering new physics. Optical cycling on the B X transition around 271…
Photoexcited organic molecules to highly efficient autoionization
Sesha Vempati, Lea Bogner, Clemens Richter +4
The conversion of optical and electrical energy in novel materials is key to modern optoelectronic and light-harvesting applications. Here, we investigate the equilibration dynamic…
Interface-related magnetic and vibrational properties in Fe/MgO heterostructures from nuclear resonant spectroscopy and first-principles calculations
Benedikt Eggert, Markus E. Gruner, Katharina Ollefs +11
We combine Fe Mössbauer spectroscopy and Fe nuclear resonant inelastic x-ray scattering (NRIXS) in nanoscale polycrystalline [bcc-Fe/MgO] multilayers with vari…
Kinematically complete experimental study of Compton scattering at helium atoms near the ionization threshold
Max Kircher, Florian Trinter, Sven Grundmann +15
Compton scattering is one of the fundamental interaction processes of light with matter. Already upon its discovery [1] it was described as a billiard-type collision of a photon ki…
Construction of Machine Learned Force Fields with Quantum Chemical Accuracy: Applications and Chemical Insights
Huziel E. Sauceda, Stefan Chmiela, Igor Poltavsky +2
Highly accurate force fields are a mandatory requirement to generate predictive simulations. Here we present the path for the construction of machine learned molecular force fields…
Impact of electron solvation on ice structures at the molecular scale
Cord Bertram, Philipp Auburger, Michel Bockstedte +3
We determine the impact of electron solvation on DO structures adsorbed on Cu(111) with low temperature scanning tunneling microscopy, two-photon photoemission, and ab initio t…
An open-source, end-to-end workflow for multidimensional photoemission spectroscopy
Rui Patrick Xian, Yves Acremann, Steinn Ymir Agustsson +15
Characterization of the electronic band structure of solid state materials is routinely performed using photoemission spectroscopy. Recent advancements in short-wavelength light so…
Diffusion in crowded colloids of particles cyclically changing their shapes
Yuki Koyano, Hiroyuki Kitahata, Alexander S. Mikhailov
A simple model of an active colloid consisting of dumbbell-shaped particles that cyclically change their length without propelling themselves is proposed and analyzed. At nanoscale…
Evidence of large polarons in photoemission band mapping of the perovskite semiconductor CsPbBr
M. Puppin, S. Polishchuk, N. Colonna +16
Lead-halide perovskite (LHP) semiconductors are emergent optoelectronic materials with outstanding transport properties which are not yet fully understood. We find signatures of la…
Spectroscopic characterization of aluminum monofluoride with relevance to laser cooling and trapping
S. Truppe, S. Marx, S. Kray +7
Here we report on spectroscopic measurements of the aluminum monofluoride molecule (AlF) that are relevant to laser cooling and trapping experiments. We measure the detailed energy…
Determining Surface Phase Diagrams Including Anharmonic Effects
Yuanyuan Zhou, Matthias Scheffler, Luca M. Ghiringhelli
We introduce a massively parallel replica-exchange grand-canonical sampling algorithm to simulate materials at realistic conditions, in particular surfaces and clusters in reactive…
Sensing the spin of an individual Ce adatom
Markus Ternes, Christopher P. Lutz, Andreas J. Heinrich +1
The magnetic moment of rare earth elements originates from electrons in the partially filled 4f orbitals. Accessing this moment electrically by scanning tunneling spectroscopy is h…
Direct Detection of Spin-(In)dependent Nuclear Scattering of Sub-GeV Dark Matter Using Molecular Excitations
Rouven Essig, Jesús Pérez-Ríos, Harikrishnan Ramani +1
We propose a novel direct detection concept to search for dark matter with 100~keV to 100~MeV masses. Such dark matter can scatter off molecules in a gas and transfer an $\mathcal{…
Influence of interface dipole layers on the performance of graphene field effect transistors
Naoka Nagamura, Hirokazu Fukidome, Kosuke Nagashio +8
The linear band dispersion of graphene's bands near the Fermi level gives rise to its unique electronic properties, such as a giant carrier mobility, and this has triggered extensi…
Theory of exciton dynamics in time-resolved ARPES: intra- and intervalley scattering in two-dimensional semiconductors
Dominik Christiansen, Malte Selig, Ermin Malic +2
Time- and angle-resolved photoemission spectroscopy (trARPES) is a powerful spectroscopic method to measure the ultrafast electron dynamics directly in momentum-space. However, ban…
Surface Polariton-Like s-Polarized Waveguide Modes in Switchable Dielectric Thin-Films on Polar Crystals
Nikolai Christian Passler, Andreas Heßler, Matthias Wuttig +2
Surface phonon polaritons (SPhP) and surface plasmon polaritons (SPP), evanescent modes supported by media with negative permittivity, are a fundamental building block of nanophoto…
Recovery of high-energy photoelectron circular dichroism through Fano interference
G. Hartmann, M. Ilchen, Ph. Schmidt +10
It is commonly accepted that the magnitude of a photoelectron circular dichroism (PECD) is governed by the ability of an outgoing photoelectron wave packet to probe the chiral asym…
Time- and momentum-resolved photoemission studies using time-of-flight momentum microscopy at a free-electron laser
Dmytro Kutnyakhov, Rui Patrick Xian, Maciej Dendzik +38
Time-resolved photoemission with ultrafast pump and probe pulses is an emerging technique with wide application potential. Real-time recording of non-equilibrium electronic process…
Multidimensional Contrast Limited Adaptive Histogram Equalization
Vincent Stimper, Stefan Bauer, Ralph Ernstorfer +2
Contrast enhancement is an important preprocessing technique for improving the performance of downstream tasks in image processing and computer vision. Among the existing approache…
Using Gaussian Process Regression to Simulate the Vibrational Raman Spectra of Molecular Crystals
Nathaniel Raimbault, Andrea Grisafi, Michele Ceriotti +1
Vibrational properties of molecular crystals are constantly used as structural fingerprints, in order to identify both the chemical nature and the structural arrangement of molecul…