149 citations
- Université de RennesFR45 papers
- Centre National de la Recherche ScientifiqueFR20 papers
- Université Paris-SaclayFR18 papers
- Université Paris CitéFR15 papers
- Observatoire de la Côte d’AzurFR14 papers
- University of BirminghamGB14 papers
- University of CambridgeGB14 papers
- American UniversityUS13 papers
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- Carleton CollegeUS13 papers
- Centro Ricerche Enrico FermiIT13 papers
6 papers · 1 filter
Direct Orientation Contrast Imaging of Anti-Phase Domains on III-V Materials Using Scanning Electron Microscopy
Brieg Le Corre, Clothilde Grenèche, Rozenn Bernard +16
Direct orientation contrast imaging of zinc-blende III-V materials is studied using scanning electron microscopy. A quantitative approach is taken using a 3 μm thick orientation-pa…
Full ab initio atomistic approach for morphology prediction of hetero-integrated crystals: A confrontation with experiments
Sreejith Pallikkara Chandrasekharan, Sofia Apergi, Chen Wei +6
Here, we propose a comprehensive first-principle atomistic approach to predict the Wulff-Kaischew equilibrium shape of crystals heterogeneously integrated on a dissimilar material.…
Roadmap for electronic structure, anharmonicity, and electron-phonon calculations in locally disordered inorganic and hybrid halide perovskites
Marios Zacharias, George Volonakis, Laurent Pedesseau +3
The role of data in modern materials science becomes more valuable and accurate when effects such as electron-phonon coupling and anharmonicity are included, providing a more reali…
Electron-phonon couplings in polymorphous crystals
Marios Zacharias, George Volonakis, Laurent Pedesseau +3
Positional polymorphism in solids refers to locally disordered unit cells that, on average, reproduce the high-symmetry structures observed in diffraction experiments. Standard the…
Efficient First-Principles Framework for Overdamped Phonon Dynamics and Anharmonic Electron-Phonon Coupling in Superionic Materials
Yuxuan Wang, Marios Zacharias, Xiao Zhang +4
Relying on the anharmonic special displacement method, we introduce an ab initio quasistatic polymorphous framework to describe local disorder, anharmonicity, and electron-phonon c…
Multiscale approach for modeling magnetization properties of inhomogeneous ultrathin magnetic layers
Julien Mordret, Jean-Christophe Le Breton, Gabriel Delhaye +3
We report on spin atomistic calculations used to model static and dynamic magnetic properties of inhomogeneous ultrathin iron films. Active magnetic layers in next-generation spint…