Theoretical approach for white-LED Phosphors: From crystal structures to optical properties

IOP Conference Series: Materials Science and Engineering

Volumn 18, Issue SYMPOSIUM 7, 2011, Pages

  Mikami, M ^a   Kijima, N ^a   Bertrand, B ^b,c   Stankovski, M ^b   Gonze, X ^b  

^a MITSUBISHI CHEMICAL CORPORATION   (Japan)

^b UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

^c Institut Superieur Industriel   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

FIRST-PRINCIPLES CALCULATION; LUMINESCENT CENTRES; STRUCTURAL STABILITIES; THEORETICAL APPROACH; WHITE LIGHT EMITTING DIODES;

CALCULATIONS; CERAMIC MATERIALS; DIELECTRIC PROPERTIES; LIGHT EMISSION; LIGHT EMITTING DIODES; PHOSPHORS; STABILITY;

OPTICAL PROPERTIES;

EID: 80052088796     PISSN: 17578981     EISSN: 1757899X     Source Type: Conference Proceeding    
DOI: 10.1088/1757-899X/18/10/102001     Document Type: Conference Paper

References (32)

1. Mueller-Mach R, Mueller G, Krames M R, Höppe H A, Stadler F, Schnick W, Juestel T and Schmidt P 2005 phys. stat. sol. (a) 202 1727
2. Mikami M, Watanabe H, Uheda K, Shimooka S, Shimomura Y, Kurushima T and Kijima N 2009 IOP Conf. Ser.: Mater. Sci. Eng. vol 1 p 012002
3. Mikami M and Kijima N 2010 Opt. Mater. in press DOI: 10.1016/j.optmat. 2010.07.020
4. Kijima N, Shimomura Y, Kurushima T, Watanabe H, Shimooka S, Mikami M and Uheda K 2008 J. Light Vis. Env. 32 202
5. Dorenbos P 2002 Phys. Rev. B 65 235110
6. Fuertes A 2010 Dalton Trans. 39 5942
7. The ABINIT code is a common project of the Université Catholique de Louvain, Corning Incorporated, and other contributors (http://www.abinit.org/ )
8. Gonze X et al 2002 Comput. Mater. Sci. 25 478
9. Gonze X et al 2005 Z. Kristallogr. 220 558
10. Gonze et al 2009 Comput. Phys. Comm. 180 2582
11. Hintzen H T and Li Y-Q 2004 Encyclopedia of Materials: Science and Technology ed Buschow K H J, Cahn R W, Flemings M C (Oxford, Elsevier) p 1-3
12. Kurushima T, Gundiah G, Shimomura Y, Mikami M, Kijima N and Cheetham A K 2010 J. Electrochem. Soc. 157 J64
13. Li Y-Q, de With G and Hintzen H T 2006 J. Electrochem. Soc. 153 G278
14. Setlur A A, Heward W J, Hannah M E and Happek U 2008 Chem. Mater. 20 6277
15. Li Y-Q, Hirosaki N, Xie R-J and Mitomo M 2007 Sci. Technol. Adv. Mater. 8 607
16. Morgan P E D 1986 J. Mater. Sci. 21 4305
17. Fuertes A 2006 Inorg. Chem. 45 9640
18. Mikami M, Uheda K and Kijima N 2006 phys. stat. sol. (a) 203 2705
19. Mikami M, Watanabe H, Uheda K, Kijima N 2008 Mater. Res. Soc. Symp. Proc. 1040 Q10-09
20. Uheda K, Yamamoto H, Yamane H, Inami W, Tsuda K, Yamamoto,Y, Hirosaki N 2009 J Ceram. Soc. Japan. 117 94
21. Matsuo H, Mikami M, Imura H, Uheda K, Kijima N and Yamamoto H 2009 ECS Trans. 25 207
22. Mikami M, Uheda K, Shimooka S, Imura H and Kijima N 2007 2nd International Symposium on SiAlONS and Non-oxides
23. published as Mikami M, Uheda K, Shimooka S, Imura H and Kijima N 2009 Key Key Eng. Mater. 403 11
24. Uheda K, Shimooka S, Mikami M, Imura H and Kijima K 2007 Proc. 14th Int. Display Workshops 899
25. Braun C, Seibald M, Saskia L Börger S L, Oeckler O, Boyko T D, Moewes A, Miehe G, Tücks A and Schnick W 2010 Chem. Eur. J. 16 9646
26. Bertrand B, Stankovski M, Giantomassi M, Jacques A, Mikami M, Gonze X (in preparation)
27. Blöchl P E 1994 Phys. Rev. B 50 17953
28. Torrent M, Jollet F, Bottin F, Zerah G and Gonze X 2008 Comput. Mater. Sci. 42 337
29. Stadler F and Schnick W 2006 Z. Anorg. Allg. Chem. 632 949
30. This Stokes shift appears sufficiently close to the value in ref. [21] (about 2600cm-1)
31. Giantomassi M, Stankovski M, Shaltaf R, Grüning M, Bruneval F, Rinke P and Rignanese G-M 2010 phys. stat. sol.(b) in press DOI: 10.1002/pssb. 201046094
32. Incidentally, the energy gap difference appears similar magnitude of the difference of the energy barriers for thermal quenching in the PL spectra; the energy barriers for thermal quenching were crudely evaluated as 0.6 (0.2) eV for Ba3Si6O12N2:Eu (Ba3Si6O9N4:Eu) by relying on an equation (ΔET0.5/680 eV, where T0.5 is the quenching temperature at which the emission intensity has dropped to 50% of the low temperature value, and ΔE is the energy barrier). For the detail on the equation, see Dorenbos P 2005 J. Phys.: Condens. Matter 17 8103