807 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Université de RennesFR75 papers
- Centre National de la Recherche ScientifiqueFR38 papers
- Université Paris-SaclayFR26 papers
- Université Paris CitéFR24 papers
- Université de MontréalCA23 papers
- Observatoire de la Côte d’AzurFR22 papers
- Polytechnique MontréalCA22 papers
- Sorbonne UniversitéFR22 papers
- University of BirminghamGB22 papers
- University of CambridgeGB22 papers
- University of MichiganUS22 papers
- University of PisaIT22 papers
4 papers · 2 filters
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…