The valence band offset, ΔEV,at the lattice-matched GaAs/AlAs(001) interface is derived from highly precise self- consistent all-electron local density band structure calculations of the (GaAs)n(AlAs)n(001) superlattices (with n ≤ 3). Using the core levels as reference energies, we find that ΔEV = 0.50 ± 0.05 eV, in very good agreement with recent experimental results (ΔEV = 0.45 - 0.55 eV). The dependence of ΔEV on the superlattice thickness is studied and related to the interface charge redistribution which produces an interface dipole potential estimated to be ∼ 0.14 eV.
ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics
- Electrical and Electronic Engineering