116 citations · 276 across the 8 of their papers we have counts for
8 papers
Abinit 2025: New Capabilities for the Predictive Modeling of Solids and Nanomaterials
Matthieu J. Verstraete, Joao Abreu, Guillaume E. Allemand +71
Abinit is a widely used scientific software package implementing density functional theory and many related functionalities for excited states and response properties. This paper p…
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…
Topological features in the ferromagnetic Weyl semimetal CeAlSi: Role of domain walls
M. M. Piva, J. C. Souza, V. Brousseau-Couture +8
In the ferromagnetic (FM) Weyl semimetal CeAlSi both space-inversion and time-reversal symmetries are broken. Our quantum oscillation (QO) data indicate that the FM ordering modifi…
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…
Tuning the nontrivial topological properties of the Weyl semimetal CeAlSi
M. M. Piva, J. C. Souza, V. Brousseau-Couture +6
In the ferromagnetic Weyl semimetal CeAlSi both space-inversion and time-reversal symmetries are broken. We use external pressure as an effective tuning parameter and relate three…
Fröhlich polaron effective mass and localization length in cubic materials: degenerate and anisotropic electronic bands
Bogdan Guster, Pedro Melo, Bradley A. A. Martin +7
Polarons, that is, charge carriers correlated with lattice deformations, are ubiquitous quasiparticles in semiconductors, and play an important role in electrical conductivity. To…
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…
Temperature dependence of the topological phase transition of BiTeI from first principles
Véronique Brousseau-Couture, Gabriel Antonius, Michel Côté
A topological phase transition from a trivial insulator to a topological insulator requires the bulk band gap to vanish. In the case of noncentrosymmetric materials,…