Applied Physics Letters · 2012 · 163 citations · 26 references
Natural SciencesMaterials SciencePhysicsMaterials ChemistryMaterials PhysicsSemiconductor MaterialsDensity Functional TheoryElectronic Band StructureLuminescent MaterialsOptical Properties Of SemiconductorsOptical Properties Of SolidsSemiconductor Device MaterialsAbsorption Band AssignmentAbsorption SpectraAluminum NitrideOptical Absorption CoefficientSemiconductor Laser DiodesUltraviolet Absorption FeaturesUltraviolet Light-emitting Diodes
Single crystal AlN provides a native substrate for Al-rich AlGaN that is needed for the development of efficient deep ultraviolet light emitting and laser diodes. An absorption band centered around 4.7 eV (∼265 nm) with an absorption coefficient above 1000 cm−1 is observed in these substrates. Based on density functional theory calculations, substitutional carbon on the nitrogen site introduces absorption at this energy. A series of single crystalline wafers were used to demonstrate that this absorption band linearly increased with carbon, strongly supporting the model that CN- is the predominant state for carbon in AlN.
26
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
<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