Journal of the Korean Ceramic Society (한국세라믹학회지)

The Korean Ceramic Society (한국세라믹학회)
권호 표지
DOI QR코드

DOI QR Code

The SrLiAl3N4:Eu2+ Phosphor Synthesized by the Raw Material Model Obtained by DFT Calculations

  • Park, Woon Bae (Faculty of Nanotechnology and Advanced Materials Engineering, Sejong University)
  • Received : 2017.03.20
  • Accepted : 2017.05.08
  • Published : 2017.05.31
Download PDF
⟨ Previous Next ⟩

Abstract

Improvement studies of existing phosphors are needed for use in light emitting diodes (LEDs). Among the phosphors discovered recently, the SLA ($SrLiAl_3N_4:Eu^{2+}$) is a phosphor that has a narrow width. It is now known as a good red phosphor that meets the industry's needs for warm white (color temperature ranging from 2700 to 4000 K) and high CRI (> 80). However, SLA phosphors are obtained from difficult synthetic methods. All commercially available phosphors should be derived from the general solid state synthesis method. The phosphors produced by difficult synthetic methods will inevitably fall out of price competitiveness and will be scrapped. This study succeeded in synthesizing SLA ($SrLiAl_3N_4:Eu^{2+}$) phosphors by using a general solid phase synthesis method based on the reaction energy obtained from DFT calculations. As a result, we found an optimal solid state synthesis method for SLA phosphors.

Keywords

References

  1. A. A. Setlur, "Phosphors for LED-based Solid-State Lighting," Electrochem. Soc. Interface, 16 [4] 32-6 (2009).
  2. D. J. Robbins, "The Effects of Crystal Field and Temperature on the Photoluminescence Excitation Efficiency of $Ce^{3+}$ in YAG," J. Electrochem. Soc., 126 [9] 1150-55 (1979).
  3. K. Uheda, N. Hirosaki, and H. Yamamoto, "Host Lattice Materials in the System $Ca_3N_2-AlN-Si_3N_4$ for White Light Emitting Diode," Phys. Status Solidi A, 203 [11] 2712-17 (2006). https://doi.org/10.1002/pssa.200669576
  4. K. Uheda, N. Hirodaki, Y. Yamamoto, A. Naito, T. Nakajima, and H. Yamamoto, "Luminescence Properties of a Red Phosphor, $CaAlSiN_3:Eu^{2+}$, for White Light-Emitting Diodes," Electrochem. Solid-State Lett., 9 [4] H22-5 (2006). https://doi.org/10.1149/1.2173192
  5. R. Mueller-Mach and G. Mueller, "White Light Emitting Diodes for Illumination," Proc. SPIE, 3938 30-41 (2000).
  6. P. Pust, V. Weiler, C. Hecht, A. Tucks, A. S. Wochnik, A.-K. Henss, D. Wiechert, C. Scheu, P. J. Schmidt, and W. Schnick, "Narrow-Band Red-Emitting $Sr[LiAl_3N-4]:Eu^{2+}$ as a Next-Generation LED-Phosphor material," Nat. Mater., 13 [9] 891-96 (2014). https://doi.org/10.1038/nmat4012
  7. G. Kresse and J. Hafner, "Ab initio Molecular Dynamics for Liquid Metals," Phys. Rev. B, 47 [1] 558-61 (1993). https://doi.org/10.1103/PhysRevB.47.558
  8. G. Kresse and J. Hafner, "Ab initio Molecular-Dynamics Simulation of the Liquid-Metal-Amorphous-Semiconductor Transition in Germanium," Phys. Rev. B, 49 [20] 14251-69 (1994). https://doi.org/10.1103/PhysRevB.49.14251
  9. G. Kresse and J. Furthmuller, "Efficiency of Ab-initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set," Comput. Mater. Sci., 6 [1] 15-50 (1996). https://doi.org/10.1016/0927-0256(96)00008-0
  10. G. Kresse and J. Furthmuller, "Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set," Phys. Rev. B, 54 [16] 11169-86 (1996). https://doi.org/10.1103/PhysRevB.54.11169
  11. J. P. Perdew, K. Burke, and M. Ernzerhof, "Generalized Gradient Approximation Made Simple," Phys. Rev. Lett., 77 [18] 3865-68 (1996). https://doi.org/10.1103/PhysRevLett.77.3865
  12. H. J. Monkhorst and J. D. Pack, "Special Points for Brillouin-Zone Integrations," Phys. Rev. B., 13 [12] 5188-92 (1976). https://doi.org/10.1103/PhysRevB.13.5188
  13. P. E. Blochl, "Projector Augmented-Wave Method," Phys. Rev. B, 50 [24] 17953-79 (1994). https://doi.org/10.1103/PhysRevB.50.17953
  14. G. Kresse and D. Joubert, "From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method," Phys. Rev. B, 59 [3] 1758-75 (1999).
  15. G. Hautier, S. P. Ong, A. Jain, C. J. Moore, and G. Ceder, "Accuracy of Density Functional Theory in Predicting Formation Energies of Ternary Oxides from Binary Oxides and its Implication on Phase Stability," Phys. Rev. B, 85 [15] 155208 (2012). https://doi.org/10.1103/PhysRevB.85.155208
  16. G. J. Dirksen and G. Blasse, "Luminescence in the Pentaborate $LiBa_2B_5O_{10}$," J. Solid State Chem., 92 [2] 591-93 (1991). https://doi.org/10.1016/0022-4596(91)90365-O
  17. P. Dorenbos, "A Review on How Lanthanide Impurity Levels Change with Chemistry and Structure of Inorganic Compounds," ECS J. Solid State Sci. Technol., 2 [2] R3001-11 (2013). https://doi.org/10.1149/2.001302jss
  18. P. Dorenbos, "5d-Level Energies of $Ce^{3+}$ and the Crystalline Environment. I. Fluoride Compounds," Phys. Rev. B, 62 [23] 15640-49 (2000). https://doi.org/10.1103/PhysRevB.62.15640
  19. P. Dorenbos, "5d-level Energies of $Ce^{3+}$ and the Crystalline Environment. III. Oxides Containing Ionic Complexes," Phys. Rev. B, 64 [12] 125117 (2001). https://doi.org/10.1103/PhysRevB.64.125117
  20. P. Dorenbos, "Relating the Energy of the [$Xe]5d^1$ Configuration of $Ce^{3+}$ in Inorganic Compounds with Anion Polarizability and Cation Electronegativity," Phys. Rev. B, 65 [23] 235110 (2002). https://doi.org/10.1103/PhysRevB.65.235110