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
Moiré pattern multiplicity driven by electronic effects in two-dimensional CrCl3/Au heterostructures
Eugenio Gambari, Hugo Le Du, Mathieu Lizée +7
Moiré patterns are a central motif in van der Waals heterostructures arising from the superposition of two-dimensional (2D) incommensurate lattices. These patterns reveal a wealth…
Uncovering surface states of the Dirac semimetal BaMg2Bi2
A. De Vita, J. Bakkelund, H. Świątek +13
BaMg2Bi2 is a Dirac semimetal characterized by a simple Dirac cone crossing the Fermi level at the center of the Brillouin zone, protected by C3 rotational symmetry. Together with…
Valence Modifications in Hygroscopic VI3 Degraded Crystals via Soft X-Ray Synchrotron Radiation
A. De Vita, V. Polewczyk, G. Panaccione +1
Among van der Waals crystals, transition metal trihalide VI3 has driven attention for its magnetic and orbital properties. However, its chemical instability under ambient condition…
Generative Modeling Enables Molecular Structure Retrieval from Coulomb Explosion Imaging
Xiang Li, Till Jahnke, Rebecca Boll +12
Capturing the structural changes that molecules undergo during chemical reactions in real space and time is a long-standing dream and an essential prerequisite for understanding an…
Reduced Basis Approach for Convection-Diffusion Equations with Non-Linear Boundary Reaction Conditions
Sebastian Matera, Christian Merdon, Daniel Runge
This paper aims at an efficient strategy to solve drift-diffusion problems with non-linear boundary conditions as they appear, e.g., in heterogeneous catalysis. Since the non-linea…
Photoelectron Spectroscopy and Circular Dichroism of an Open-Shell Organometallic Camphor Complex
Viktoria Brandt, Michele Pugini, Nikolas Kaltsoyannis +4
We present an investigation of one-photon valence-shell photoelectron spectroscopy and photoelectron circular dichroism (PECD) for the chiral molecule (1R,4R)-3-(heptafluorobutyryl…
-GaO(001) surface reconstructions from first principles and experiment
Konstantin Lion, Piero Mazzolini, Kingsley Egbo +4
We present a comprehensive investigation of reconstructions on -GaO(001) combining first-principles calculations with experimental observations. Using ab initio atomisti…
MC3D: The Materials Cloud computational database of experimentally known stoichiometric inorganics
Sebastiaan P. Huber, Michail Minotakis, Marnik Bercx +7
DFT is a widely used method to compute properties of materials, which are often collected in databases and serve as valuable starting points for further studies. In this article, w…
About carrier's self-trapping and dynamical Rashba splitting in the two-dimensional hybrid perovskite (BA)(MA)PbI
W. Qi, S. Ponzoni, G. Huitric +13
Time- and Angle-Resolved Photoelectron Spectroscopy (tr-ARPES) is employed to monitor photoexcited electrons in the two-dimensional hybrid perovskite (BA)(MA)PbI…
Wrinkle Mediated Phase Transitions in InSe
Joseph L. Spellberg, Lina Kodaimati, Atreyie Ghosh +2
Crystalline phase transitions in two-dimensional materials enable precise control over electronic and ferroic properties, making them attractive materials for memory and energy sto…
Dissecting intervalley coupling mechanisms in monolayer transition metal dichalcogenides
Oleg Dogadov, Henry Mittenzwey, Micol Bertolotti +8
Monolayer (1L) transition metal dichalcogenides (TMDs) provide a unique opportunity to control the valley degree of freedom of optically excited charge carriers due to the spin-val…
Orbital mixing and strong Hund's coupling stabilize spin order in van der Waals ferromagnet CrI3
Alessandro De Vita, Srdjan Stavrić, Roberto Sant +8
Recent years have seen a vast increase in research into van der Waals magnetic materials. In many of these systems, magnetism is introduced via light 3d-transition metal elements,…
On Boltzmann Averaging in Ab Initio Thermodynamics
Hendrik H. Heenen, Karsten Reuter
Ab initio thermodynamics is a widespread, computationally efficient approach to predict the stable configuration of a surface in contact with a surrounding (gas or liquid) environm…
Terahertz time-domain signatures of the inverse Edelstein effect in topological-insulator|ferromagnet heterostructures
Genaro Bierhance, Chihun In, Enzo Rongione +14
Three-dimensional topological insulators possess topologically protected surface states with spin-momentum locking, which enable spin-charge-current interconversion (SCI) by the in…
Selective Bond Breaking in CO Induced by Photoelectron Recoil
J. Weiherer, N. Melzer, M. Kircher +16
After core-ionization of CO, typically an Auger-Meitner decay takes place, leading to the formation of a dicationic molecule that may dissociate into CO and O. We demon…
Conduction Band Structure and Ultrafast Dynamics of Ferroelectric -GeTe(111)
Geoffroy Kremer, Laurent Nicolaï, Frédéric Chassot +9
-GeTe(111) is a non-centrosymmetric ferroelectric (FE) material for which a significative lattice distortion combined with a strong spin-orbit interaction gives rise to giant Ra…
Efficient Band Structure Unfolding with Atom-centered Orbitals: General Theory and Application
Jingkai Quan, Nikita Rybin, Matthias Scheffler +1
Band structure unfolding is a key technique for analyzing and simplifying the electronic band structure of large, internally distorted supercells that break the primitive cell's tr…
Magneto-optical trapping of aluminum monofluoride
J. E. Padilla-Castillo, J. Cai, P. Agarwal +6
Magneto-optical trapping of molecules has thus far been restricted to molecules with electronic ground states. These species are chemically reactive and only support a simple…
Efficient Computation of the Long-Range Exact Exchange using an Extended Screening Function
Sebastian Kokott, Volker Blum, Matthias Scheffler
We introduce a computationally efficient screening for the Coulomb potential that also allows calculating approximated long-range exact exchange contributions with an accuracy simi…
Roadmap for Photonics with 2D Materials
F. Javier García de Abajo, D. N. Basov, Frank H. L. Koppens +145
Triggered by the development of exfoliation and the identification of a wide range of extraordinary physical properties in self-standing films consisting of one or few atomic layer…
Intermolecular Radiative Decay: A non-local decay mechanism providing an insider's view of the solvation shell
Johan Söderström, Lucas M. Cornetta, Victor Ekholm +21
Aqueous solutions are crucial in chemistry, biology, environmental science, and technology. The chemistry of solutes is influenced by the surrounding solvation shell of water molec…
Momentum-Resolved Signatures of Carrier Screening Effects on Electron-Phonon Coupling in MoS
Yiming Pan, Patrick-Nigel Hildebrandt, Daniela Zahn +5
Electron-phonon coupling is central to many condensed matter phenomena. Harnessing these effects for novel material functionality in materials always involves non-equilibrium elect…
Observation of angular momentum transfer among crystal lattice modes
Olga Minakova, Carolina Paiva, Maximilian Frenzel +7
Transfer of energy and linear momentum between lattice vibrations via anharmonic coupling is an important concept in solid-state physics. However, it remains difficult to directly…
Anomalous spin-optical helical effect in Ti-based kagome metal
Federico Mazzola, Wojciech Brzezicki, Chiara Bigi +32
The kagome lattice stands as a rich platform for hosting a wide array of correlated quantum phenomena, ranging from charge density waves and superconductivity to electron nematicit…