169 citations · 725 across the 17 of their papers we have counts for
11 papers · 1 filter
Second-Order Raman Scattering in Exfoliated Black Phosphorus
Alexandre Favron, Félix Antoine Goudreault, Vincent Gosselin +7
Second-order Raman scattering has been extensively studied in carbon-based nanomaterials, \emph{e.g.} nanotube and graphene, because it activates normally forbidden Raman modes tha…
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…
Zero-point lattice expansion and band gap renormalization: Grüneisen approach versus free energy minimization
Véronique Brousseau-Couture, Émile Godbout, Xavier Gonze +1
The zero-point lattice expansion (ZPLE) is a small variation of the lattice parameters induced by the presence of phonons in a material compared to the static lattice picture. It c…
Predominance of non-adiabatic effects in zero-point renormalization of the electronic band gap
Anna Miglio, Véronique Brousseau-Couture, Emile Godbout +6
Electronic and optical properties of materials are affected by atomic motion through the electron-phonon interaction: not only band gaps change with temperature, but even at absolu…
Direct observation of ultrafast long-range charge separation at polymer:fullerene heterojunctions
Françoise Provencher, Nicolas Bérubé, Anthony W. Parker +7
In polymeric semiconductors, charge carriers are polarons, which means that the excess charge deforms the molecular structure of the polymer chain that hosts it. This effect result…
Verification of first-principles codes: comparison of total energies, phonon frequencies, electron-phonon coupling and zero-point motion correction to the gap between ABINIT and QE/Yambo
S. Poncé, G. Antonius, P. Boulanger +4
With the ever-increasing sophistication of codes, the verification of the implementation of advanced theoretical formalisms becomes critical. In particular, cross comparison betwee…