Abstract
Valence-band offsets of the InGaAs∕GaAs(001) and InGaAsN∕GaAs(001) interfaces are calculated from first principles. For InGaAs, we study the concentrations up to 25% of indium and for InGaAsN up to 12.5% of indium with 3% of nitrogen. Even though the band offset of the InGaAs∕GaAs interface has a nearly linear dependence on the indium concentration, band offset of the InGaAsN∕GaAs interface is strongly influenced by the amount of In–N bonds. Even a type-II band offset is found in the case of all indium located near to nitrogen and low strain of the InGaAsN layer.
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