Publication | Closed Access
Electronic structure and optical properties of Zn(OH)<sub>2</sub>: LDA+U calculations and intense yellow luminescence
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Citations
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References
2015
Year
Optical MaterialsEngineeringNuclear PhysicsComputational ChemistryChemistryLuminescence PropertyElectronic StructureSpectroscopic PropertyAppropriate OverlapIi-vi SemiconductorIntense Yellow LuminescenceOptical PropertiesLda+u CalculationsPhotoluminescencePhysicsQuantum ChemistryP−d StatesNatural SciencesSpectroscopyApplied PhysicsOptoelectronics
Assigned <italic>U</italic> values in the LDA+<italic>U</italic> calculations should assure an appropriate overlap of the p−d states.
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