| Preface | 5 |
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| Contents | 6 |
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| 1 Introduction to the Basic Properties of Luminescent Materials | 8 |
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| Abstract | 8 |
| 1.1 History and Classification of LEDs | 9 |
| 1.2 Fundamentals of Phosphors | 12 |
| 1.2.1 Host Lattice | 12 |
| 1.2.2 Activator | 13 |
| 1.2.2.1 Transition-Metal Ions | 13 |
| 1.2.2.2 Rare-Earth Ions (4f ? 4f Transition) | 14 |
| 1.2.2.3 Rare-Earth Ions (5d ? 4f Transition) | 16 |
| 1.2.3 Effect-Dependent Luminescence | 17 |
| 1.2.4 Energy Transfer | 18 |
| 1.2.5 Thermal Effect | 19 |
| 1.2.6 Classification of Phosphors for Pc-WLEDs | 21 |
| 1.3 Fundamentals of Nanomaterials | 23 |
| 1.3.1 Quantum-Confinement Effect | 24 |
| 1.3.2 Nucleation and Growth | 25 |
| 1.3.3 II–VI, III–V, and I–III–VI Semiconducting QDs | 27 |
| 1.3.3.1 Binary II–VI QDs | 27 |
| 1.3.3.2 Binary III–V QDs | 28 |
| 1.3.3.3 Ternary I–III–VI QDs | 30 |
| References | 31 |
| 2 Phosphors for White-Light LEDs Through the Principle of Energy Transfer | 37 |
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| Abstract | 37 |
| 2.1 Introduction | 38 |
| 2.2 Theory of Electronic Transition and Luminescence | 38 |
| 2.2.1 Literature Review | 42 |
| 2.3 Design Principles and Preparation Protocol of White-Emitting Phosphors | 43 |
| 2.4 White-Emitting Phosphors with Predesigned Energy-Transfer Mechanisms | 45 |
| 2.4.1 White-Emitting Phosphors with Energy Transfer from Eu2+ to Mn2+ | 45 |
| 2.4.2 White-Emitting Phosphors with Energy Transfer from Ce3+ to Eu2+ | 47 |
| 2.4.3 White-Emitting Phosphors with Energy Transfer from Ce3+ to Mn2+ [45–48] | 48 |
| 2.4.4 Trichromatic White-Emitting Phosphors with Dual-Energy Transfer | 49 |
| 2.5 Summary and Perspectives | 56 |
| Acknowledgments | 56 |
| References | 57 |
| 3 Energy Transfer Between Luminescent Centers | 60 |
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| Abstract | 60 |
| 3.1 Introduction | 60 |
| 3.2 Spectroscopic Evidence for Energy Transfer | 61 |
| 3.3 Efficiencies of Donor Luminescence and Energy Transfer | 62 |
| 3.4 Lifetimes | 64 |
| 3.4.1 Excited-State Lifetime | 64 |
| 3.4.2 Fluorescence Lifetime | 65 |
| 3.5 Theory of Energy Transfer | 65 |
| 3.5.1 Electric Multipolar Interaction | 66 |
| 3.5.2 Exchange Interaction | 70 |
| 3.5.3 Diffusion-Limited Energy Transfer | 71 |
| References | 71 |
| 4 Principles of Energetic Structure and Excitation-Energy Transfer Based on High-Pressure Measurements | 72 |
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| Abstract | 72 |
| 4.1 Introduction | 72 |
| 4.2 High-Pressure Generation and Equipment | 74 |
| 4.2.1 Hydrostatic Pressure as Experimental Variable | 74 |
| 4.2.2 High-Pressure Cells | 75 |
| 4.2.3 Anvils and Gaskets | 77 |
| 4.2.4 Pressure-Transmitting Media | 77 |
| 4.2.5 High-Pressure Sensors | 80 |
| 4.3 Fundamentals of High-Pressure Luminescence Phenomena | 81 |
| 4.3.1 Pressure-Induced Shifts of the Band States | 84 |
| 4.3.2 Pressure Dependence of Transition-Metal Ion Luminescence | 84 |
| 4.3.2.1 Pressure Dependence of Ti3+ (3d1) Luminescence | 87 |
| 4.3.2.2 High-Pressure Spectroscopy of the 3d3 and 3d2 Systems | 89 |
| 4.4 Rare-Earth Ions | 94 |
| 4.4.1 Pressure Dependence of 4fn–4fn Transitions | 94 |
| 4.4.1.1 Ce3+ and Yb3+ | 95 |
| 4.4.1.2 Pr3+ Ions | 96 |
| 4.4.1.3 Nd3+ Ion | 103 |
| 4.4.1.4 Eu3+, Tb3+ and Eu2+ Ions | 104 |
| 4.4.1.5 Spectroscopic Evidence of Pressure-Induced Phase Transitions | 105 |
| 4.5 Luminescence Related to the 4fn?15d ? 4fn Transitions in Ln3+ and Ln2+ Ions | 106 |
| 4.5.1 5d ? 4f Luminescence in Ce3+ | 108 |
| 4.5.2 4f5d ? 4f2 Luminescence in Pr3+ | 113 |
| 4.5.3 4f6 5d ? 4f7 Luminescence in Eu2+ and 4f135d ? 4f14 Luminescence in Yb2+ | 115 |
| 4.5.4 d-f Luminescence in Actinides | 124 |
| 4.6 Influence of Pressure on Ionization and Charge-Transfer Transitions | 124 |
| 4.6.1 Model of Impurity-Trapped Exciton States | 126 |
| 4.6.2 High-Pressure Effect on an Anomalous Luminescence in Eu2+- and Yb2+-Doped Materials | 130 |
| 4.6.3 Pressure-Induced Luminescence Quenching in Pr3+- and Tb3+-Doped Materials | 134 |
| 4.6.4 Pressure Dependence of the Energy of CT Transitions | 143 |
| 4.7 Summary | 147 |
| Acknowledgments | 147 |
| References | 148 |
| 5 First-Principles Calculations of Structural, Elastic, Electronic, and Optical Properties of Pure and Tm2+-Doped Alkali?Earth Chlorides MCl2 (M = Ca, Sr, and Ba) | 157 |
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| Abstract | 157 |
| 5.1 Introduction | 158 |
| 5.2 Crystal Structure | 159 |
| 5.3 Methods of Calculations | 160 |
| 5.3.1 Ab Initio Calculations | 160 |
| 5.3.2 Crystal-Field Calculations and Exchange-Charge Model | 161 |
| 5.4 Ab Initio Calculations for Pure CaCl2, SrCl2, and BaCl2 Crystals | 164 |
| 5.5 Ab Initio Calculations for Tm2+-doped CaCl2, SrCl2, and BaCl2 Crystals | 167 |
| 5.6 Crystal-Field Modeling of the Tm2+ Spectra in SrCl2 Crystal | 171 |
| 5.7 Summary | 173 |
| Acknowledgments | 173 |
| References | 174 |
| 6 First-Principles Calculation of Luminescent Materials | 177 |
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| Abstract | 177 |
| 6.1 The First-Principles Basic Theory, Related Software, and Luminescence Foundation | 177 |
| 6.1.1 Born?Oppenheimer Approximation | 178 |
| 6.1.2 Hartree?Fock Approximation | 179 |
| 6.1.3 Density Functional Theory | 181 |
| 6.1.4 Related Calculation Software | 183 |
| 6.1.5 Luminescence Foundation | 184 |
| 6.2 Photoluminescence Mechanism Based on the First-Principles Calculation | 191 |
| 6.2.1 Intrinsic Luminescence | 193 |
| 6.2.2 Native Defect Luminescence | 197 |
| 6.2.3 Dopant or Doping-Induced Defect Luminescence | 202 |
| 6.2.4 Conclusions | 207 |
| 6.3 Calculation using the Advanced Density-Function Theory for Luminescence Materials | 208 |
| 6.3.1 Excited-State Calculation | 210 |
| 6.3.2 Band-Gap Correction for Luminescent Materials | 211 |
| 6.3.3 Conclusions | 217 |
| 6.4 Summary and Prospect | 217 |
| References | 218 |
| 7 Color Tuning of Oxide Phosphors | 223 |
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| Abstract | 223 |
| 7.1 Introduction | 223 |
| 7.2 Eu2+-Activated Phosphors | 224 |
| 7.2.1 Ba9Sc2Si6O24:Eu2+ | 224 |
| 7.2.2 AE2SiO4:Eu2+ (AE = Alkali Earth) | 227 |
| 7.2.3 Li2SrSiO4:Eu2+ | 229 |
| 7.2.4 Sr3B2O6:Eu2+ | 231 |
| 7.2.5 NaMgPO4:Eu2+ | 232 |
| 7.2.6 Ca3Si2O7:Eu2+ |