User menu

Accès à distance ? S'identifier sur le proxy UCLouvain

Ab initio study of luminescence in Ce-doped Lu2SiO5: The role of oxygen vacancies on emission color and thermal quenching behavior

  • Open access
  • PDF
  • 5.47 M
  1. Suzuki H., Tombrello T.A., Melcher C.L., Schweitzer J.S., UV and gamma-ray excited luminescence of cerium-doped rare-earth oxyorthosilicates, 10.1016/0168-9002(92)90784-2
  2. Suzuki H., Tombrello T.A., Melcher C.L., Schweitzer J.S., Light emission mechanism of Lu/sub 2/(SiO/sub 4/)O:Ce, 10.1109/23.256584
  3. Rodriguez-Mendoza Ulises R., Cunningham Garry B., Shen Yongrong, Bray Kevin L., High-pressure luminescence studies inCe3+:Lu2SiO5, 10.1103/physrevb.64.195112
  4. Kappers L.A., Bartram R.H., Hamilton D.S., Lempicki A., Glodo J., Thermal quenching and electron traps in LSO, 10.1016/s0022-2313(02)00482-9
  5. van der Kolk E., Dorenbos P., van Eijk C. W. E., Basun S. A., Imbusch G. F., Yen W. M., 5delectron delocalization ofCe3+andPr3+inY2SiO5andLu2SiO5, 10.1103/physrevb.71.165120
  6. Yang Kan, Melcher Charles L., Rack Philip D., Eriksson Lars A., Effects of Calcium Codoping on Charge Traps in LSO:Ce Crystals, 10.1109/tns.2009.2027018
  7. Laguta V. V., Buryi M., Rosa J., Savchenko D., Hybler J., Nikl M., Zazubovich S., Kärner T., Stanek C. R., McClellan K. J., Electron and hole traps in yttrium orthosilicate single crystals: The critical role of Si-unbound oxygen, 10.1103/physrevb.90.064104
  8. Pidol L., Guillot-Noël O., Kahn-Harari A., Viana B., Pelenc D., Gourier D., EPR study of Ce3+ ions in lutetium silicate scintillators Lu2Si2O7 and Lu2SiO5, 10.1016/j.jpcs.2005.10.175
  9. Jia Yongchao, Miglio Anna, Gonze Xavier, Mikami Masayoshi, Ab-initio study of oxygen vacancy stability in bulk and Cerium-doped lutetium oxyorthosilicate, 10.1016/j.jlumin.2018.08.039
  10. Shannon R. D., Prewitt C. T., Effective ionic radii in oxides and fluorides, 10.1107/s0567740869003220
  11. Dorenbos P, Thermal quenching of Eu2+5d–4f luminescence in inorganic compounds, 10.1088/0953-8984/17/50/027
  12. Naud J.D., Tombrello T.A., Melcher C.L., Schweitzer J.S., The role of cerium sites in the scintillation mechanism of LSO, 10.1109/23.507059
  13. Dorenbos P, Eijk C W E van, Bos A J J, Melcher C L, Afterglow and thermoluminescence properties of Lu2SiO5:Ce scintillation crystals, 10.1088/0953-8984/6/22/016
  14. Cooke D. W., Bennett B. L., Muenchausen R. E., McClellan K. J., Roper J. M., Whittaker M. T., Intrinsic trapping sites in rare-earth and yttrium oxyorthosilicates, 10.1063/1.371518
  15. Liu Bo, Qi Zeming, Gu Mu, Liu Xiaolin, Huang Shiming, Ni Chen, First-principles study of oxygen vacancies in Lu2SiO5, 10.1088/0953-8984/19/43/436215
  16. B. Liu, J. Am. Ceram. Soc., 95, 1093 (2012)
  17. Zavartsev Yuri D., Koutovoi Sergei A., Zagumennyi Alexander I., Czochralski growth and characterisation of large Ce3+:Lu2SiO5 single crystals co-doped with Mg2+ or Ca2+ or Tb3+ for scintillators, 10.1016/j.jcrysgro.2004.11.290
  18. Spurrier Merry A., Szupryczynski Piotr, Yang Kan, Carey A. Andrew, Melcher Charles L., Effects of $\hbox {Ca}^{2+}$ Co-Doping on the Scintillation Properties of LSO:Ce, 10.1109/tns.2007.913486
  19. Canning A., Chaudhry A., Boutchko R., Grønbech-Jensen N., First-principles study of luminescence in Ce-doped inorganic scintillators, 10.1103/physrevb.83.125115
  20. Chaudhry A., Boutchko R., Chourou S., Zhang G., Grønbech-Jensen N., Canning A., First-principles study of luminescence in Eu2+-doped inorganic scintillators, 10.1103/physrevb.89.155105
  21. Jia Yongchao, Miglio Anna, Poncé Samuel, Gonze Xavier, Mikami Masayoshi, First-principles study ofCe3+-dopedlanthanum silicate nitride phosphors: Neutral excitation, Stokes shift, and luminescent center identification, 10.1103/physrevb.93.155111
  22. Jia Yongchao, Poncé Samuel, Miglio Anna, Mikami Masayoshi, Gonze Xavier, Assessment of First-Principles and Semiempirical Methodologies for Absorption and Emission Energies of Ce3+ -Doped Luminescent Materials, 10.1002/adom.201600997
  23. Jia Yongchao, Miglio Anna, Poncé Samuel, Mikami Masayoshi, Gonze Xavier, First-principles study of the luminescence of Eu2+ -doped phosphors, 10.1103/physrevb.96.125132
  24. Poncé Samuel, Jia Yongchao, Giantomassi Matteo, Mikami Masayoshi, Gonze Xavier, Understanding Thermal Quenching of Photoluminescence in Oxynitride Phosphors from First Principles, 10.1021/acs.jpcc.5b12361
  25. Dorenbos Pieter, The hole picture as alternative for the common electron picture to describe hole trapping and luminescence quenching, 10.1016/j.jlumin.2018.01.013
  26. Blöchl P. E., Projector augmented-wave method, 10.1103/physrevb.50.17953
  27. Gonze X., Amadon B., Anglade P.-M., Beuken J.-M., Bottin F., Boulanger P., Bruneval F., Caliste D., Caracas R., Côté M., Deutsch T., Genovese L., Ghosez Ph., Giantomassi M., Goedecker S., Hamann D.R., Hermet P., Jollet F., Jomard G., Leroux S., Mancini M., Mazevet S., Oliveira M.J.T., Onida G., Pouillon Y., Rangel T., Rignanese G.-M., Sangalli D., Shaltaf R., Torrent M., Verstraete M.J., Zerah G., Zwanziger J.W., ABINIT: First-principles approach to material and nanosystem properties, 10.1016/j.cpc.2009.07.007
  28. Gonze X., Jollet F., Abreu Araujo F., Adams D., Amadon B., Applencourt T., Audouze C., Beuken J.-M., Bieder J., Bokhanchuk A., Bousquet E., Bruneval F., Caliste D., Côté M., Dahm F., Da Pieve F., Delaveau M., Di Gennaro M., Dorado B., Espejo C., Geneste G., Genovese L., Gerossier A., Giantomassi M., Gillet Y., Hamann D.R., He L., Jomard G., Laflamme Janssen J., Le Roux S., Levitt A., Lherbier A., Liu F., Lukačević I., Martin A., Martins C., Oliveira M.J.T., Poncé S., Pouillon Y., Rangel T., Rignanese G.-M., Romero A.H., Rousseau B., Rubel O., Shukri A.A., Stankovski M., Torrent M., Van Setten M.J., Van Troeye B., Verstraete M.J., Waroquiers D., Wiktor J., Xu B., Zhou A., Zwanziger J.W., Recent developments in the ABINIT software package, 10.1016/j.cpc.2016.04.003
  29. Torrent Marc, Jollet François, Bottin François, Zérah Gilles, Gonze Xavier, Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure, 10.1016/j.commatsci.2007.07.020
  30. Perdew John P., Burke Kieron, Ernzerhof Matthias, Generalized Gradient Approximation Made Simple, 10.1103/physrevlett.77.3865
  31. B. Henderson, Optical Spectroscopy of Inorganic Solids (2006)
  32. Stoneham A. M., Theory of Defects in Solids, ISBN:9780198507802, 10.1093/acprof:oso/9780198507802.001.0001
  33. Theory of light absorption and non-radiative transitions in F -centres, 10.1098/rspa.1950.0184
  34. Ueda Jumpei, Meijerink Andries, Dorenbos Pieter, Bos Adrie J. J., Tanabe Setsuhisa, Thermal ionization and thermally activated crossover quenching processes for5d−4fluminescence inY3Al5−xGaxO12:Pr3+, 10.1103/physrevb.95.014303
  35. Andrews L. J., Lempicki A., McCollum B. C., Giunta C. J., Bartram R. H., Dolan J. F., Thermal quenching of chromium photoluminescence in ordered perovskites. I. Temperature dependence of spectra and lifetimes, 10.1103/physrevb.34.2735
  36. Bartram R. H., Charpie J. C., Andrews L. J., Lempicki A., Thermal quenching of chromium photoluminescence in ordered perovskites. II. Theoretical models, 10.1103/physrevb.34.2741
  37. Freysoldt Christoph, Grabowski Blazej, Hickel Tilmann, Neugebauer Jörg, Kresse Georg, Janotti Anderson, Van de Walle Chris G., First-principles calculations for point defects in solids, 10.1103/revmodphys.86.253
  38. Freysoldt Christoph, Neugebauer Jörg, Van de Walle Chris G., FullyAb InitioFinite-Size Corrections for Charged-Defect Supercell Calculations, 10.1103/physrevlett.102.016402
  39. Kuznetsov A.Yu., Sobolev A.B., Varaksin A.N., Keda O.A., Embedded Cluster Calculations of the Electron Structure of the Ce3+ Impurity in Lu2SiO5 Crystals with Allowance for Crystal Lattice Relaxation and Polarization, 10.1002/1521-3951(199712)204:2<701::aid-pssb701>3.0.co;2-8
  40. Dorenbos P., 5d−levelenergies ofCe3+and the crystalline environment. II. Chloride, bromide, and iodide compounds, 10.1103/physrevb.62.15650
  41. Dorenbos P., 5d-level energies ofCe3+and the crystalline environment. III. Oxides containing ionic complexes, 10.1103/physrevb.64.125117
  42. Dorenbos P., Relating the energy of the[Xe]5d1configuration ofCe3+in inorganic compounds with anion polarizability and cation electronegativity, 10.1103/physrevb.65.235110
  43. Onuma Hiroaki, Tanno Hiroaki, Suzuki Ai, Sahnoun Riadh, Koyama Michihisa, Tsuboi Hideyuki, Hatakeyama Nozomu, Endou Akira, Takaba Hiromitsu, Del Carpio Carlos A., Kubo Momoji, Deka Ramesh Chandra, Kajiyama Hiroshi, Shinoda Tsutae, Miyamoto Akira, Host emission from BaMgAl10O17 and SrMgAl10O17 phosphor: Effects of temperature and defect level, 10.1889/jsid18.3.211
  44. Bertrand B., Poncé S., Waroquiers D., Stankovski M., Giantomassi M., Mikami M., Gonze X., Quasiparticle electronic structure of barium-silicon oxynitrides for white-LED application, 10.1103/physrevb.88.075136
  45. Reshchikov M. A., Korotkov R. Y., Analysis of the temperature and excitation intensity dependencies of photoluminescence in undoped GaN films, 10.1103/physrevb.64.115205
  46. Reshchikov M. A., Demchenko D. O., McNamara J. D., Fernández-Garrido S., Calarco R., Green luminescence in Mg-doped GaN, 10.1103/physrevb.90.035207
  47. Reshchikov Michael A., Temperature dependence of defect-related photoluminescence in III-V and II-VI semiconductors, 10.1063/1.4838038
  48. Spurrier M.A., Szupryczynski P., Rothfuss H., Yang K., Carey A.A., Melcher C.L., The effect of co-doping on the growth stability and scintillation properties of lutetium oxyorthosilicate, 10.1016/j.jcrysgro.2007.10.075
  49. Wu Yuntao, Koschan Merry, Li Qi, Greeley Ian, Melcher Charles L., Revealing the role of calcium codoping on optical and scintillation homogeneity in Lu 2 SiO 5 :Ce single crystals, 10.1016/j.jcrysgro.2018.07.017
  50. Zhu Jiajie, Gu Mu, Liu Xiaolin, Liu Bo, Huang Shiming, Ni Chen, First-principles study on stability of Li, Na and Ca in Lu2SiO5, 10.1016/j.jlumin.2013.02.024
  51. Jia Lingchun, Zhu Jiajie, Teng Yunxue, Gu Mu, Effect of Li doping on the O vacancies in Lu 2 SiO 5 :Ce phosphors, 10.1016/j.matlet.2018.06.051
Bibliographic reference Jia, Yongchao ; Miglio, Anna ; Mikami, Masayoshi ; Gonze, Xavier. Ab initio study of luminescence in Ce-doped Lu2SiO5: The role of oxygen vacancies on emission color and thermal quenching behavior. In: Physical Review Materials, Vol. 2, no.12, p. 125202 (2018)
Permanent URL http://hdl.handle.net/2078.1/214076