125 citations · 335 across the 8 of their papers we have counts for
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Precise effective masses from density functional perturbation theory
Jonathan Laflamme Janssen, Yannick Gillet, Samuel Poncé +3
The knowledge of effective masses is a key ingredient to analyze numerous properties of semiconductors, like carrier mobilities, (magneto-)transport properties, or band extrema cha…
Ab Initio Approach to Second-order Resonant Raman Scattering Including Exciton-Phonon Interaction
Yannick Gillet, Stefan Kontur, Matteo Giantomassi +2
Raman spectra obtained by the inelastic scattering of light by crystalline solids contain contributions from first-order vibrational processes (e.g. the emission or absorption of o…
First-principles investigation of the structural, dynamical and dielectric properties of kesterite, stannite and PMCA phases of Cu2ZnSnS4
S. Poyyapakkam Ramkumar, Y. Gillet, A. Miglio +3
Cu2ZnSnS4 (CZTS) is a promising material as an absorber in photovoltaic applications. The measured efficiency, however, is far from the theoretically predicted value for the known…
Efficient On-the-Fly Interpolation Technique for Bethe-Salpeter Calculations of Optical Spectra
Yannick Gillet, Matteo Giantomassi, Xavier Gonze
The Bethe-Salpeter formalism represents the most accurate method available nowadays for computing neutral excitation energies and optical spectra of crystalline systems from first…
Temperature evolution of the band-gap in BiFeO3 traced by resonant Raman scattering
Mads Christof Weber, Mael Guennou, Constance Toulouse +4
Knowledge of the electronic band structure of multiferroic oxides, crucial for the understanding and tuning of photo-induced effects, remains very limited even in the model and tho…
Temperature dependence of the electronic structure of semiconductors and insulators
Samuel Poncé, Yannick Gillet, Jonathan Laflamme Janssen +3
The renormalization of electronic eigenenergies due to electron-phonon coupling is sizable in many materials with light atoms. This effect, often neglected in ab-initio calculation…
The temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation
Samuel Poncé, Gabriel Antonius, Yannick Gillet +5
The renormalization of electronic eigenenergies due to electron-phonon interactions (temperature dependence and zero-point motion effect) is important in many materials. We address…
First-principles study of excitonic effects in Raman intensities
Yannick Gillet, Matteo Giantomassi, Xavier Gonze
The ab initio prediction of Raman intensities for bulk solids usually relies on the hypothesis that the frequency of the incident laser light is much smaller than the band gap. How…