First-principles calculations of photoluminescence and defect states of Ce³⁺-doped (Ca/Sr)₂B₅O₉Cl

Keyphrases

• Photoluminescence 100%
• First-principles Calculations 100%
• Defect States 100%
• Ce Doping 100%
• Excited States 66%
• Relative Energy 66%
• Band Edge 66%
• Copyright 33%
• Reliability Prediction 33%
• Band Gap 33%
• Stokes Shift 33%
• Charge-compensated 33%
• Optical Properties 33%
• Scintillator 33%
• Conduction Band Edge 33%
• Luminescent Materials 33%
• Minimal Information 33%
• Screened Potential 33%
• Electron Ionization 33%
• Excited Levels 33%
• Calculation Scheme 33%
• 5d Level 33%
• Occupancy 33%
• Electronic Level 33%
• Generalized Kohn-Sham 33%
• Hybrid Density Functional Calculations 33%
• Efficient Prediction 33%
• Relative Position 33%
• Host Material 33%
• Doped Materials 33%
• Computational Cost 33%
• Lanthanide-doped 33%
• Equilibrium Configuration 33%

Material Science

• Photoluminescence 100%
• Density 100%
• Crystal Structure 100%
• Lanthanide Series 100%
• Electronic Structure 100%
• Optical Property 100%
• Phosphor 100%
• Luminescent Material 100%
• Electron Ionization 100%

Engineering

• Energy Engineering 100%
• Excited State 100%
• Defects 100%
• Band Edge 100%
• Crystal Structure 50%
• Ground State 50%
• Energy Gap 50%
• Stokes Shift 50%
• Scintillator 50%
• Paramount Importance 50%
• Relative Position 50%
• Conduction Band Edge 50%
• Computational Cost 50%
• Equilibrium Configuration 50%