journal article·2022-01

Site occupancy and luminescence of Ce3+-doped NaK2Li[Li3SiO4]4: A first-principles study

Jiajia Cai, Bibo Lou, Caizhang Wu, Chong-Geng Ma

Optical Materials· Volume 123
Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Luminescence Properties of Advanced Materials · Nuclear materials and radiation effects · Advanced Condensed Matter Physics

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (36)

Show source-provided references
1. Narrow-band red-emitting Sr[LiAl3N4]: Eu2+ as a next-generation LED-phosphor material10.1038/nmat4012 ↗
2. Toward new phosphors for application in illumination-grade white pc-LEDs: the nitridomagnesosilicates Ca[Mg3SiN4]: Ce3+, Sr[Mg3SiN4]: Eu2+, and Eu[Mg3SiN4]10.1021/cm500610v ↗
3. Structural evolution and effect of the neighboring cation on the photoluminescence of Sr(LiAl3)1−x(SiMg3)xN4:Eu2+ phosphors10.1002/anie.201903178 ↗
4. Group (III) nitrides M[Mg2Al2N4] (M = Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—structural relation and nontypical luminescence properties of Eu2+ doped samples10.1021/cm502280p ↗
5. Tailoring of white luminescence in a NaLi3SiO4: Eu2+ phosphor containing broad-band defect-induced charge-transfer emission10.1002/adma.202101428 ↗
6. Cuboid-size-controlled color-tunable Eu-doped alkali-lithosilicate phosphors10.1021/acs.chemmater.9b04861 ↗
7. Broadband NaK2Li[Li3SiO4]4: Ce alkali lithosilicate blue phosphors10.1021/acs.jpclett.0c02064 ↗
8. High-performance NaK2Li[Li3SiO4]4: Eu green phosphor for backlighting light-emitting diodes10.1021/acs.chemmater.1c00180 ↗
9. Tutorial: defects in semiconductors—combining experiment and theory10.1063/1.4948245 ↗
10. First-principles study of Ti-doped sapphire. I. Formation and optical transition properties of titanium pairs10.1103/PhysRevB.104.165103 ↗
11. First-principles study of Ti-doped sapphire. II. Formation and reduction of complex defects10.1103/PhysRevB.104.165104 ↗
12. First-principles study of luminescence in Ce-doped inorganic scintillators10.1103/PhysRevB.83.125115 ↗
13. First-principles study of Ce3+-doped lanthanum silicate nitride phosphors: neutral excitation, Stokes shift, and luminescent center identification10.1103/PhysRevB.93.155111 ↗
14. First-principles calculations of photoluminescence and defect states of Ce3+ doped (Ca/Sr)2B5O9Cl10.1103/PhysRevB.99.125107 ↗
15. Understanding band gaps of solids in generalized Kohn-Sham theory10.1073/pnas.1621352114 ↗
16. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
17. Ab initio molecular dynamics for liquid metals10.1103/PhysRevB.47.558 ↗
18. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
19. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
20. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
21. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
22. First-principles calculations for point defects in solids10.1103/RevModPhys.86.253 ↗
23. Periodic boundary conditions in ab initio calculations10.1103/PhysRevB.51.4014 ↗
24. Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: case studies for ZnO and GaAs10.1103/PhysRevB.78.235104 ↗
25. The energy and elastic dipole tensor of defects in ionic crystals calculated by the supercell method10.1088/0022-3719/18/5/005 ↗
26. Ionic conductivity of Li4SiO4, Li4GeO4, and their solid solutions10.1111/j.1151-2916.1976.tb10985.x ↗
27. Relation between image charge and potential alignment corrections for charged defects in periodic boundary conditions10.1063/1.5029818 ↗
28. Self-activated and bismuth-related photoluminescence in rare-earth vanadate, niobate, and tantalate series—a first-principles study10.1021/acs.inorgchem.1c02508 ↗
29. First-principles calculations for defects and impurities: applications to III-nitrides10.1063/1.1682673 ↗
30. Multiple-valence and visible to near-infrared photoluminescence of manganese in ZnGa2O4: a first-principles study10.1021/acs.jpcc.1c07420 ↗
31. 4fn→4fn− 15d transitions of the light lanthanides: experiment and theory
32. 4fn→4fn− 15d transitions of the heavy lanthanides: experiment and theory
33. Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides10.1107/S0567739476001551 ↗
34. Partial nitridation of Li4SiO4 and ionic conductivity of Li4.1SiO3.9N0.110.1016/j.ceramint.2018.02.111 ↗
35. Luminescent properties of Ce3+ ions in Ca2B5O9Cl10.1002/pssa.200521388 ↗
36. Understanding thermal quenching of photoluminescence in oxynitride phosphors from first principles10.1021/acs.jpcc.5b12361 ↗