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
20 papers · 2 filters
Direct measurement of key exciton properties: energy, dynamics and spatial distribution of the wave function
Shuo Dong, Michele Puppin, Tommaso Pincelli +15
Excitons, Coulomb-bound electron-hole pairs, are the fundamental excitations governing the optoelectronic properties of semiconductors. While optical signatures of excitons have be…
Ultrafast lattice dynamics and electron-phonon coupling in platinum extracted with a global fitting approach for time-resolved polycrystalline diffraction data
Daniela Zahn, Hélène Seiler, Yoav William Windsor +1
Quantitative knowledge of electron-phonon coupling is important for many applications as well as for the fundamental understanding of nonequilibrium relaxation processes. Time-reso…
Low Temperature Growth of Graphene on Semiconductor
Håkon I. Røst, Rajesh K. Chellappan, Frode S. Strand +13
The industrial realization of graphene has so far been limited by challenges related to the quality, reproducibility, and high process temperatures required to manufacture graphene…
Nonequilibrium Charge-Density-Wave Order Beyond the Thermal Limit
J. Maklar, Y. W. Windsor, C. W. Nicholson +17
The interaction of many-body systems with intense light pulses may lead to novel emergent phenomena far from equilibrium. Recent discoveries, such as the optical enhancement of the…
Frequency-independent terahertz anomalous Hall effect in DyCo, CoFe and GdFe thin films from DC to 40 THz
Tom S. Seifert, Ulrike Martens, Florin Radu +11
The anomalous Hall effect (AHE) is a fundamental spintronic charge-to-charge-current conversion phenomenon and closely related to spin-to-charge-current conversion by the spin Hall…
All-electron periodic implementation with numerical atomic orbital basis functions: algorithm and benchmarks
Xinguo Ren, Florian Merz, Hong Jiang +5
We present an all-electron, periodic {\GnWn} implementation within the numerical atomic orbital (NAO) basis framework. A localized variant of the resolution-of-the-identity (RI) ap…
IrO2 Surface Complexions Identified Through Machine Learning and Surface Investigations
Jakob Timmermann, Florian Kraushofer, Nikolaus Resch +11
A Gaussian Approximation Potential (GAP) was trained using density-functional theory data to enable a global geometry optimization of low-index rutile IrO2 facets through simulated…
Investigating the ranges of (meta)stable phase formation in (InxGa1-x)2O3: Impact of the cation coordination
C. Wouters, C. Sutton, L. M. Ghiringhelli +7
We investigate the phase diagram of the heterostructural solid solution (InxGa1-x)2O3 both computationally, by combining cluster expansion and density functional theory, and experi…
Lattice dynamics and ultrafast energy flow between electrons, spins, and phonons in a 3d ferromagnet
Daniela Zahn, Florian Jakobs, Yoav William Windsor +8
The ultrafast dynamics of magnetic order in a ferromagnet are governed by the interplay between electronic, magnetic and lattice degrees of freedom. In order to obtain a microscopi…
The CECAM Electronic Structure Library and the modular software development paradigm
Micael J. T. Oliveira, Nick Papior, Yann Pouillon +34
First-principles electronic structure calculations are very widely used thanks to the many successful software packages available. Their traditional coding paradigm is monolithic,…
Anharmonicity Measure for Materials
Florian Knoop, Thomas A. R. Purcell, Matthias Scheffler +1
Theoretical frameworks used to qualitatively and quantitatively describe nuclear dynamics in solids are often based on the harmonic approximation. However, this approximation is kn…
Revealing Hidden Orbital Pseudospin Texture with Time-Reversal Dichroism in Photoelectron Angular Distributions
Samuel Beaulieu, Jakub Schusser, Shuo Dong +12
We performed angle-resolved photoemission spectroscopy (ARPES) of bulk 2H-WSe for different crystal orientations linked to each other by time-reversal symmetry. We introduce a…
The Conformational Space of a Flexible Amino Acid at Metallic Surfaces
Dmitrii Maksimov, Carsten Baldauf, Mariana Rossi
In interfaces between inorganic and biological materials relevant for technological applications, the general challenge of structure determination is exacerbated by the high flexib…
Ångström-resolved Interfacial Structure in Organic-Inorganic Junctions
Craig P. Schwartz, Sumana L. Raj, Sasawat Jamnuch +18
Charge transport processes at interfaces which are governed by complex interfacial electronic structure play a crucial role in catalytic reactions, energy storage, photovoltaics, a…
Ultrafast generation and decay of a surface metal
Lukas Gierster, Sesha Vempati, Julia Stähler
Band bending at semiconductor surfaces induced by chemical doping or electric fields can create metallic surfaces with properties not found in the bulk, such as high electron mobil…
Pentacene and Tetracene Molecules and Films on H/Si(111): Level Alignment from Hybrid Density Functional Theory
Svenja M. Janke, Mariana Rossi, Sergey V. Levchenko +3
The electronic properties of hybrid organic-inorganic semiconductor interfaces depend strongly on the alignment of the electronic carrier levels in the organic/inorganic components…
Anisotropic Nonequilibrium Lattice Dynamics of Black Phosphorus
Daniela Zahn, Patrick-Nigel Hildebrandt, Thomas Vasileiadis +4
Black phosphorus has recently attracted significant attention for its highly anisotropic properties. A variety of ultrafast optical spectroscopies has been applied to probe the car…
Ultrafast charge transfer and vibronic coupling in a laser-excited hybrid inorganic/organic interface
Matheus Jacobs, Jannis Krumland, Ana M. Valencia +3
Hybrid interfaces formed by inorganic semiconductors and organic molecules are intriguing materials for opto-electronics. Interfacial charge transfer is primarily responsible for t…
Crystal growth rates in supercooled atomic liquid mixtures
Alexander Schottelius, Francesco Mambretti, Anton Kalinin +11
Crystallization is a fundamental process in materials science, providing the primary route for the realization of a wide range of new materials. Crystallization rates are also cons…
Fully Anharmonic, Non-Perturbative Theory of Vibronically Renormalized Electronic Band Structures
Marios Zacharias, Matthias Scheffler, Christian Carbogno
We develop a first-principles approach for the treatment of vibronic interactions in solids that overcomes the main limitations of state-of-the-art electron-phonon coupling formali…