Japanese Journal of Applied Physics · 1999 · 576 citations · 19 references
Materials ScienceMaterials EngineeringP-type ZnoP -Type ZnoEngineeringIi-vi SemiconductorNanotechnologyOxide ElectronicsApplied PhysicsCondensed Matter PhysicsMadelung EnergyElectronic StructuresGallium OxideQuantum ChemistryElectronic StructureCodoping Method
We have investigated the electronic structures of n - or p -type doped ZnO based on ab initio electronic band structure calculations. We find unipolarity in ZnO; n -type doping using Al, Ga or In species decreases the Madelung energy while p -type doping using N species increases the Madelung energy, in addition to causing substantial localization of the N states. Codoping using reactive codopants, Al, Ga or In, enhances the incorporation of N acceptors in p -type codoped ZnO. We find the delocalized states of N for p -type ZnO codoped with N and Al (Ga).
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Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 61.8K citations · Full text