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- Lawrence Berkeley National LaboratoryUS185 papers
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- Centre National de la Recherche ScientifiqueFR9 papers
- Columbia UniversityUS8 papers
- Weizmann Institute of ScienceIL8 papers
- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR6 papers
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8 papers · 2 filters
A Generalized Read-Shockley Model and Large Scale Simulations for the Energy and Structure of Graphene Grain Boundaries
Ashivni Shekhawat, Colin Ophus, Robert O. Ritchie
The grain boundary (GB) energy is a quantity of fundamental importance for understanding several key properties of graphene. Here we present a comprehensive theoretical and numeric…
A new class of half-metallic ferromagnets from first principles
Sinead M. Griffin, Jeffrey B. Neaton
Half-metallic ferromagnetism (HMFM) occurs rarely in materials and yet offers great potential for spintronic devices. Recent experiments suggest a class of compounds with the `ThCr…
Topological Materials Discovery using Electron Filling Constraints
Ru Chen, Hoi Chun Po, Jeffrey B. Neaton +1
Nodal semimetals, materials systems with nodal-point or -line Fermi surfaces, are much sought after for their novel transport and topological properties. Identification of experime…
A streamlined approach to mapping the magnetic induction of skyrmionic materials
Jordan J. Chess, Sergio A. Montoya, Tyler R. Harvey +5
Recently, Lorentz transmission electron microscopy (LTEM) has helped researchers advance the emerging field of magnetic skyrmions. These magnetic quasi-particles, composed of topol…
Origin of reversible photo-induced phase separation in hybrid perovskites
Connor G. Bischak, Craig L. Hetherington, Hao Wu +4
Nonequilibrium processes occurring in functional materials can significantly impact device efficiencies and are often difficult to characterize due to the broad range of length and…
Effects of quantum confinement on excited state properties of SrTiO from ab initio many-body perturbation theory
Sebastian E. Reyes-Lillo, Tonatiuh Rangel, Fabien Bruneval +1
The Ruddlesden-Popper (RP) homologous series SrTiO provides a useful template for the study and control of the effects of dimensionality and quantum confinem…