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
16 papers · 2 filters
The search for high entropy alloys: a high-throughput approach
Yoav Lederer, Cormac Toher, Kenneth S. Vecchio +1
While the ongoing search to discover new high-entropy systems is slowly expanding beyond metals, a rational and effective method for predicting "in silico" the solid solution formi…
First-Principles Supercell Calculations of Small Polarons with Proper Account for Long-Range Polarization Effects
Sebastian Kokott, Sergey V Levchenko, Patrick Rinke +1
We present a density functional theory (DFT) based supercell approach for modeling small polarons with proper account for the long-range elastic response of the material. Our analy…
SISSO: a compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates
Runhai Ouyang, Stefano Curtarolo, Emre Ahmetcik +2
The lack of reliable methods for identifying descriptors - the sets of parameters capturing the underlying mechanisms of a materials property - is one of the key factors hindering…
Dissecting spin-phonon equilibration in ferrimagnetic insulators by ultrafast lattice excitation
Sebastian F. Maehrlein, Ilie Radu, Pablo Maldonado +8
To gain control over magnetic order on ultrafast time scales, a fundamental understanding of the way electron spins interact with the surrounding crystal lattice is required. Howev…
Second-harmonic phonon spectroscopy of -quartz
Christopher J. Winta, Sandy Gewinner, Wieland Schöllkopf +2
We demonstrate midinfrared second-harmonic generation as a highly sensitive phonon spectroscopy technique that we exemplify using -quartz (SiO) as a model system. A midinfra…
Complex THz and DC inverse spin Hall effect in YIG/CuIr bilayers across a wide concentration range
Joel Cramer, Tom Seifert, Alexander Kronenberg +5
We measure the inverse spin Hall effect of CuIr thin films on yttrium iron garnet over a wide range of Ir concentrations (). Spin curr…
Insightful classification of crystal structures using deep learning
A. Ziletti, D. Kumar, M. Scheffler +1
Computational methods that automatically extract knowledge from data are critical for enabling data-driven materials science. A reliable identification of lattice symmetry is a cru…
Predicting ground-state configurations and electronic properties of the thermoelectric clathrates BaAlSi and SrAlSi
Maria Troppenz, Santiago Rigamonti, Claudia Draxl
The structural and electronic properties of the clathrate compounds BaAlSi and SrAlSi are studied from first principles, considering an Al…
Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces
Saswata Bhattacharya, Daniel Berger, Karsten Reuter +2
Realistic oxide materials are often semiconductors, in particular at elevated temperatures, and their surfaces contain undercoordiated atoms at structural defects such as steps and…
Antiferromagnetic opto-spintronics: Part of a collection of reviews on antiferromagnetic spintronics
P. Nemec, M. Fiebig, T. Kampfrath +1
Control and detection of spin order in ferromagnets is the main principle allowing storing and reading of magnetic information in nowadays technology. The large class of antiferrom…
Properties of the water to boron nitride interaction: from zero to two dimensions with benchmark accuracy
Yasmine S. Al-Hamdani, Mariana Rossi, Dario Alfè +8
Molecular adsorption on surfaces plays an important part in catalysis, corrosion, desalination, and various other processes that are relevant to industry and in nature. As a comple…
Terahertz spin currents and inverse spin Hall effect in thin-film heterostructures containing complex magnetic compounds
T. Seifert, U. Martens, S. Günther +20
Terahertz emission spectroscopy of ultrathin multilayers of magnetic and heavy metals has recently attracted much interest. This method not only provides fundamental insights into…
Formation of Vacancies in Si- and Ge-based Clathrates: Role of Electron Localization and Symmetry Breaking
Amrita Bhattacharya, Christian Carbogno, Bodo Boehme +3
The formation of framework vacancies in Si- and Ge-based type-I clathrates is studied as function of filling the cages with K and Ba atoms using density-functional theory. Our anal…
Ultrabroadband single-cycle terahertz pulses with peak fields of 300 kV cm from a metallic spintronic emitter
T. Seifert, S. Jaiswal, M. Sajadi +5
To explore the capabilities of metallic spintronic thin-film stacks as a source of intense and broadband terahertz electromagnetic fields, we excite a W/CoFeB/Pt trilayer on a larg…
Terahertz sum-frequency excitation of a Raman-active phonon
Sebastian Maehrlein, Alexander Paarmann, Martin Wolf +1
In stimulated Raman scattering, two incident optical waves induce a force oscillating at the difference of the two light frequencies. This process has enabled important application…
The structure and composition statistics of 6A binary and ternary crystalline materials
Alon Hever, Corey Oses, Stefano Curtarolo +2
The fundamental principles underlying the arrangement of elements into solid compounds with an enormous variety of crystal structures are still largely unknown. This study presents…