Comparison of electronic and optical properties of mixed SiO2-GeO2 amorphous system by first-principles

N. Richard (1) , L. Martin-Samos (2) , Sébastien Girard (1) , A. Boukenter (3) , Y. Ouerdane (3) , J.-P. Meunier (3)

1 DCRE CEA - Département de Conception et Réalisation des Experimentations, CEA-DIF
2 Dipartimento di Fisica
3 LHC - Laboratoire Hubert Curien

We have applied first principles method to study the differences in the properties of amorphous silica cells doped with different amounts of germanium. Computations using Density Functional Theory (DFT) and Many Body Perturbation Theory (MBPT) to the DFT as the GW approximation and the resolution of the Bethe Salpeter Equation have been done to evaluate the structural, electronic and optical properties of these germanosilicate systems. Influence of the Ge-content on the properties of neutral oxygen vacancy, also called oxygen deficient center, is also investigated.

Keywords: silica; germanium; density functional theory; many body perturbation theory

Domains: Physics [physics]; Physics [physics]; Optics [physics.optics]

N. Richard, L. Martin-Samos, Sébastien Girard, A. Boukenter, Y. Ouerdane, et al.. Comparison of electronic and optical properties of mixed SiO2-GeO2 amorphous system by first-principles. Si02 Advanced Dielectrics and Related Devices, Jun 2012, Hyères, France. pp.96-97. ⟨ujm-00732504⟩