2.2k citations · 7.6k across the 77 of their papers we have counts for
79 papers
Surface-plasmon polaritons in multilayer jellium systems: dispersion and spatial description
Alexandre Cloots, Tanguy Colleu, Vincent Liégeois +3
Surface-plasmon polaritons (SPPs) are electromagnetic waves that propagate along metal-dielectric interfaces, with important applications in sensing, energy, and nanotechnology. Wh…
Precision benchmarks for solids: G0W0 calculations with different basis sets
Maryam Azizi, Francisco A. Delesma, Matteo Giantomassi +10
The GW approximation within many-body perturbation theory is the state of the art for computing quasiparticle energies in solids. Typically, Kohn-Sham (KS) eigenvalues and eigenfun…
Validation of the GreenX library time-frequency component for efficient GW and RPA calculations
Maryam Azizi, Jan Wilhelm, Dorothea Golze +5
Electronic structure calculations based on many-body perturbation theory (e.g. GW or the random-phase approximation (RPA)) require function evaluations in the complex time and freq…
Surface Enhanced Infrared Absorption mechanism and modification of the plasmonic response
Tanguy Colleu, Adam Fekete, Xavier Gonze +4
Surface Enhanced Infrared Absorption (SEIRA) is an experimental method where trace amount of a compound can be detected with high sensibility. This high detection sensibility is th…
Generating and grading 34 Optimized Norm-Conserving Vanderbilt Pseudopotentials for Actinides and Super Heavy Elements in the PseudoDojo
Christian Tantardini, Miroslav Iliaš, Matteo Giantomassi +3
In the last decades, material discovery has been a very active research field driven by the need to find new materials for many different applications. This has also included mater…
Effect of spin-orbit coupling on the zero-point renormalization of the electronic band gap in cubic materials: First-principles calculations and generalized Fröhlich model
Véronique Brousseau-Couture, Xavier Gonze, Michel Côté
The electronic structure of semiconductors and insulators is affected by ionic motion through electron-phonon interaction, yielding temperature-dependent band gap energies and zero…