Computational study on cation effects on emission wavelength of Ca 1-xMxAlSiN3:Eu2+ (M=Li,Na,Mg,Sr,Ba,Y,La)

Hiroaki Onuma, Itaru Yamashita, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

This study aimed to establish an emission wavelength (EW) control scheme for Eu2+-doped phosphors using quantum chemistry insights. We calculated electronic structure of M-doped CaAlSiN3:Eu2+ phosphors (M=Li,Na,Mg,Sr,Ba,Y,La). Our calculation results are summarized as follows: (1) Li/Na/Mg would make EW short, (2) effect of Sr/Ba on EW would be small, (3) Y/La would make EW longer. These difference depends on cation (n-1)d orbitals. Li/Na/Mg and Y/La make smaller and larger interactions with Eu than that of Ca/Sr/Ba, respectively. We could modify EW of Eu2+-doped phosphors by varying interaction between Eu 5d and cation (n-1)d orbitals.

Original languageEnglish
Title of host publication10th International Meeting on Information Display and International Display Manufacturing Conference and Asia Display 2010, IMID/IDMC/ASIA Display 2010
Pages26-27
Number of pages2
Publication statusPublished - 2010 Dec 1
Event10th International Meeting on Information Display and International Display Manufacturing Conference and Asia Display 2010, IMID/IDMC/ASIA Display 2010 - Seoul, Korea, Republic of
Duration: 2010 Oct 112010 Oct 15

Publication series

NameProceedings of International Meeting on Information Display
ISSN (Print)1738-7558

Other

Other10th International Meeting on Information Display and International Display Manufacturing Conference and Asia Display 2010, IMID/IDMC/ASIA Display 2010
CountryKorea, Republic of
CitySeoul
Period10/10/1110/10/15

Keywords

  • CaAlSiN:Eu
  • Electronic structure
  • Emission wavelength
  • Phosphor
  • Quantum chemistry

ASJC Scopus subject areas

  • Engineering(all)

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  • Cite this

    Onuma, H., Yamashita, I., Nagumo, R., Miura, R., Suzuki, A., Tsuboi, H., Hatakeyama, N., Endou, A., Takaba, H., Kubo, M., & Miyamoto, A. (2010). Computational study on cation effects on emission wavelength of Ca 1-xMxAlSiN3:Eu2+ (M=Li,Na,Mg,Sr,Ba,Y,La). In 10th International Meeting on Information Display and International Display Manufacturing Conference and Asia Display 2010, IMID/IDMC/ASIA Display 2010 (pp. 26-27). (Proceedings of International Meeting on Information Display).