Physical review. B, Condensed matter · 1979 · 143 citations · 14 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsSemiconductor MaterialsSolid State PhysicsAb Initio MethodsElectronic Band StructureElectronic Structure Of SolidsSemiconductor HeterostructuresSemiconductor InterfacesSemiconductor PhysicsBand GapBand Gap EnergyBand Structure CalculationElectronic Density Of StatesInterface StatesInterfacial Electronic StructureTight-binding ApproximationTight-binding Theory
The tight-binding method is used to calculate the band structure and the character of the electronic states of the AlAs-GaAs (001) superlattice. The nature and value of the energy gap as a function of slab thickness is calculated. In the limit in which the thickness of the repeated superlattice slab becomes large, the system approximates a series of simple interfaces between AlAs and GaAs. This system is studied in detail, with special emphasis placed on the determination of interface states. Layer energy densities of states and charge densities per layer are found for different slab thicknesses. The electronic character of the atomic layers not directly adjacent to the interfaces closely resembles that of the bulk semiconductors in terms of anion and cation charge densities and total squared amplitude in $s$ and $p$ orbitals.
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Interdiffusion between GaAs and AlAs
L.L. Chang, A. Koma · Applied Physics Letters · 1976 · 206 citations