135 citations · 314 across the 5 of their papers we have counts for
6 papers
First-principles Study of the Luminescence of Eu2+-doped Phosphors
Yongchao Jia, Anna Miglio, Samuel Poncé +2
The luminescence of fifteen representative Eu-doped phosphors used for white-LED and scintillation applications is studied through a Constrained Density Functional Theory. T…
First-principles study of Ce doped lanthanum silicate nitride phosphors: Neutral excitation, Stokes shift, and luminescent center identification
Yongchao Jia, Anna Miglio, Samuel Poncé +2
We study from first principles two lanthanum silicate nitride compounds, LaSiN and LaSiN, pristine as well as doped with Ce ion, in view of ex…
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…
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…
A many-body perturbation theory approach to the electron-phonon interaction with density-functional theory as a starting point
Andrea Marini, Samuel Poncé, Xavier Gonze
The electron-phonon interaction plays a crucial role in many fields of physics and chemistry. Nevertheless, its actual calculation by means of modern many-body perturbation theory…
Band widths and gaps from the Tran-Blaha functional : Comparison with many-body perturbation theory
David Waroquiers, Aurélien Lherbier, Anna Miglio +6
For a set of ten crystalline materials (oxides and semiconductors), we compute the electronic band structures using the Tran-Blaha [Phys. Rev. Lett. 102, 226401 (2009)] (TB09) func…