Electronic and Optical Properties in the Tight-Binding Method

Faycal Raouafi (1) , Ramzi Ben Chamekh (2) , Jacky Even (3) , Jean-Marc Jancu (3)

1 Laboratoire de Physico-chimie des Matériaux Polymères
2 LPN - Laboratoire de photonique et de nanostructures
3 FOTON - Fonctions Optiques pour les Technologies de l'informatiON

We show how the extended-basis spds* tight-binding model can be used to compute accurately the physical properties of tetrahedrally bonded semiconductor structures. This approach is particular suited for investigating the nanoscale material properties lying at the interface of material science and engineering. Nonlinear optical simulations in III-V semiconductors are presented with accurate benchmark calculations of ultra-short period GaAs/AlAs superlattices.

Domaines: Physique [physics]; Sciences de l'ingénieur [physics]; Chimie

Faycal Raouafi, Ramzi Ben Chamekh, Jacky Even, Jean-Marc Jancu. Electronic and Optical Properties in the Tight-Binding Method. Chinese Journal of Physics, 2014, 52 (4), pp.1376 - 1386. ⟨10.6122/CJP.52.1376⟩. ⟨hal-01076764⟩