426 citations · 709 across the 6 of their papers we have counts for
6 papers
Huge excitonic effects in layered hexagonal boron nitride
B. Arnaud, S. Lebègue, P. Rabiller +1
The calculated quasiparticle band structure of bulk hexagonal boron nitride using the all-electron GW approximation shows that this compound is an indirect-band-gap semiconductor.…
Excitonic and Quasiparticle Life Time Effects on Silicon Electron Energy Loss Spectrum from First Principles
B. Arnaud, S. Lebègue, M. Alouani
The quasiparticle decays due to electron-electron interaction in silicon are studied by means of first-principles all-electron GW approximation. The spectral function as well as th…
Pressure-Induced Simultaneous Metal-Insulator and Structural-Phase Transitions in LiH: a Quasiparticle Study
S. Lebègue, M. Alouani, B. Arnaud +1
A pressure-induced simultaneous metal-insulator transition (MIT) and structural-phase transformation in lithium hydride with about 1% volume collapse has been predicted by means of…
Implementation of an all-electron GW approximation based on the PAW method without plasmon pole approximation: application to Si, SiC, AlAs, InAs, NaH and KH
S. Lebègue, B. Arnaud, M. Alouani +1
A new implementation of the GW approximation (GWA) based on the all-electron Projector-Augmented-Wave method (PAW) is presented, where the screened Coulomb interaction is computed…
Implementation of an all-electron GW Approximation using the Projector Augmented Wave method: I. Formulation and application to the electronic structure of semiconductors
B. Arnaud, M. Alouani
We have implemented the so called GW approximation (GWA) based on an all-electron full-potential Projector Augmented Wave (PAW) method. For the screening of the Coulomb interaction…
Implementation of an all-electron GW Approximation using the Projector Augmented Wave method: II. Application to the optical properties of semiconductors
B. Arnaud, M. Alouani
We used our previously implemented GW approximation (GWA) based on the all-electron full-potential projector augmented wave (PAW) method to study the optical properties of small, m…