Publication | Closed Access
Modification of the virtual-crystal approximation for ternary III-V compounds
59
Citations
6
References
1983
Year
EngineeringComputational ChemistryChemistryElectronic StructureIi-vi SemiconductorVirtual-crystal ApproximationSecond NeighborsQuantum MaterialsMaterials ScienceInorganic ChemistryPhysicsCrystal MaterialQuantum ChemistryCrystallographyCrystal Structure DesignNatural SciencesCondensed Matter PhysicsApplied PhysicsBand-structure Calculations
We discuss a modification of the virtual-crystal approximation for alloys in the semiempirical tight-binding method of band-structure calculations, which explicitly includes the interactions between unlike second neighbors. The results are applied to the quaternary ${\mathrm{Ga}}_{y}{\mathrm{In}}_{1\ensuremath{-}y}{\mathrm{As}}_{x}{\mathrm{P}}_{1\ensuremath{-}x}$ and its constituent ternary compounds.
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