Physical Review B · 2004 · 168 citations · 17 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsSemiconductor MaterialsSolid State PhysicsAb Initio MethodsElectronic Band StructureInterface EngineeringInterface ModelingSemiconductor InterfacesSemiconductor PhysicsBand GapBand Gap PredictionLattice MismatchSuperlattice MaterialsSuperlatticesTight-binding ModelsTight-binding TheoryType-ii Heterostructures
We report the most recent work on the modeling of type-II InAs/GaSb superlattices using the empirical tight binding method in an ${\mathrm{sp}}^{3}{s}^{*}$ basis. After taking into account the antimony segregation in the InAs layers, the modeling accuracy of the band gap has been improved. Our calculations agree with our experimental results within a certain growth uncertainty. In addition, we introduce the concept of ${\mathrm{Ga}}_{x}{\mathrm{In}}_{1\ensuremath{-}x}$ type interface engineering in order to reduce the lattice mismatch between the superlattice and the GaSb (001) substrate to improve the overall superlattice material quality.
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Simplified LCAO Method for the Periodic Potential Problem
J. C. Slater, G. F. Koster · Physical Review · 1954 · 5.2K citations