3-D Random Alloy Simulation of AlGaAs Band Gap
Some questions to be addressed:
- What is the noise in such a system?
- How large is the configuration noise?
- How large is the concentration noise?
- How many atoms need to be included in the simulation?
- What is the dependence of the noise on the Al concentration?
- What is the effect of clustering?
- sp3s* tight binding model
- VCA derived from pure GaAs and AlAs results in an wrong bandgap (parameter averaging)
- Perform 3-D alloy simulation of the bandedges.
- Represent each individual atom in the chunk of material
- 3-D random alloy simulation matches experimental data well.