Applied Physics Letters · 2008 · 10 citations · 19 references
EngineeringMaterials EngineeringMaterials ScienceElectronic MaterialsSemiconductor DevicesSemiconductor MaterialsDopingLight-emitting DiodesLuminescent MaterialsQuantum WellsSemiconductor Device MaterialsWide-bandgap SemiconductorsAnnealingBlue Light-emitting DiodesElectroluminescenceGallium NitrideIonization EnergyThermal AnnealingThermal Annealing EffectsValence Band
In Ga N ∕ Ga N multi-quantum-well blue (461±4nm) light emitting diodes with higher electroluminescence intensity are obtained by postgrowth thermal annealing at 720°C in O2-ambient. Based on our first-principle total-energy calculations, we conclude that besides dissociating the Mg–H complex by forming H2O, annealing in O2 has another positive effect on the activation of acceptor Mg in GaN. Mg can be further activated by the formation of an impurity band above the valence band maximum of host GaN from the passivated MgGa–ON complex. Our calculated ionization energy for acceptor Mg in the passivated system is about 30meV shallower than that in pure GaN, in good agreement with previous experimental measurement. Our model can explain that the enhanced electroluminescence intensity of InGaN∕GaN MQWs based on Mg-doped p-type GaN is due to a decrease in the ionization energy of Mg acceptor with the presence of oxygen.
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Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17