1k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Centre National de la Recherche ScientifiqueFR54 papers
- Université de LorraineFR38 papers
- Laboratoire de Chimie ThéoriqueFR14 papers
- Sorbonne UniversitéFR10 papers
- Griffith UniversityAU8 papers
- Université Pierre-et-Marie-CurieFR7 papers
- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR6 papers
- Laboratoire Léon BrillouinFR6 papers
- Uppsala UniversitySE6 papers
- CEA Paris-SaclayFR5 papers
- CEA Paris-Saclay - Etablissement de SaclayFR5 papers
- Université Paris-SaclayFR5 papers
4 papers · 2 filters
Electronic structure of superconducting gallium-doped germanium from ab-initio calculations
S. Lebegue
Using ab-initio calculations, we study the electronic structure of gallium-doped germanium, which was found recently to be a superconductor, with a critical temperature of 0.5 Kelv…
Assessing the Performance of Recent Density Functionals for Bulk Solids
Gabor I. Csonka, John P. Perdew, Adrienn Ruzsinszky +5
We assess the performance of recent density functionals for the exchange-correlation energy of a nonmolecular solid, by applying accurate calculations with the GAUSSIAN, BAND, and…
Evolving properties of two dimensional materials, from graphene to graphite
Mattias Klintenberg, Sébastien Lebègue, Carlos Ortiz +2
We have studied theoretically, using density functional theory, several materials properties when going from one C layer in graphene to two and three g raphene layers and on to gra…
Accurate electronic band gap of pure and functionalized graphane from GW calculations
S. Lebegue, M. Klintenberg, O. Eriksson +1
Using the GW approximation, we study the electronic structure of the recently synthesized hydrogenated graphene, named graphane. For both conformations, the minimum band gap is fou…