Quasiparticle and optical properties of BeH2
Résumé
The quasiparticle and optical properties of BeH2 are computed by means of the all-electron GW approximation in conjunction with the projector augmented wave (PAW) method. The GW approximation, through the calculation of the self-energy and the optical dielectric function in the random phase approximation, shows that BeH2 is a large band gap insulator. The results are discussed in view of future experiments.
| Origine | Fichiers produits par l'(les) auteur(s) |
|---|
Loading...
