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

Computational study on cation effects on emission wavelength of Ca _1-xM_xAlSiN₃: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 proceeding › Conference 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 language	English
Title of host publication	10th International Meeting on Information Display and International Display Manufacturing Conference and Asia Display 2010, IMID/IDMC/ASIA Display 2010
Pages	26-27
Number of pages	2
Publication status	Published - 2010 Dec 1
Event	10th 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 11 → 2010 Oct 15

Publication series

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

Other

Other	10th International Meeting on Information Display and International Display Manufacturing Conference and Asia Display 2010, IMID/IDMC/ASIA Display 2010
Country/Territory	Korea, Republic of
City	Seoul
Period	10/10/11 → 10/10/15

Keywords

CaAlSiN:Eu
Electronic structure
Emission wavelength
Phosphor
Quantum chemistry

ASJC Scopus subject areas

Engineering(all)

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-xM_xAlSiN₃: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).

Computational study on cation effects on emission wavelength of Ca _1-xM_xAlSiN₃:Eu²⁺ (M=Li,Na,Mg,Sr,Ba,Y,La). / Onuma, Hiroaki; Yamashita, Itaru; Nagumo, Ryo; Miura, Ryuji ; Suzuki, Ai; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Miyamoto, Akira.

10th International Meeting on Information Display and International Display Manufacturing Conference and Asia Display 2010, IMID/IDMC/ASIA Display 2010. 2010. p. 26-27 (Proceedings of International Meeting on Information Display).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

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-xM_xAlSiN₃: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. Proceedings of International Meeting on Information Display, pp. 26-27, 10th International Meeting on Information Display and International Display Manufacturing Conference and Asia Display 2010, IMID/IDMC/ASIA Display 2010, Seoul, Korea, Republic of, 10/10/11.

Onuma H, Yamashita I, Nagumo R, Miura R , Suzuki A, Tsuboi H et al. Computational study on cation effects on emission wavelength of Ca _1-xM_xAlSiN₃: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. 2010. p. 26-27. (Proceedings of International Meeting on Information Display).

Onuma, Hiroaki ; Yamashita, Itaru ; Nagumo, Ryo ; Miura, Ryuji ; Suzuki, Ai ; Tsuboi, Hideyuki ; Hatakeyama, Nozomu ; Endou, Akira ; Takaba, Hiromitsu ; Kubo, Momoji ; Miyamoto, Akira. / Computational study on cation effects on emission wavelength of Ca _1-xM_xAlSiN₃:Eu²⁺ (M=Li,Na,Mg,Sr,Ba,Y,La). 10th International Meeting on Information Display and International Display Manufacturing Conference and Asia Display 2010, IMID/IDMC/ASIA Display 2010. 2010. pp. 26-27 (Proceedings of International Meeting on Information Display).

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

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.",

keywords = "CaAlSiN:Eu, Electronic structure, Emission wavelength, Phosphor, Quantum chemistry",

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

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booktitle = "10th International Meeting on Information Display and International Display Manufacturing Conference and Asia Display 2010, IMID/IDMC/ASIA Display 2010",

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T1 - Computational study on cation effects on emission wavelength of Ca 1-xMxAlSiN3:Eu2+ (M=Li,Na,Mg,Sr,Ba,Y,La)

AU - Onuma, Hiroaki

AU - Yamashita, Itaru

AU - Nagumo, Ryo

AU - Miura, Ryuji

AU - Suzuki, Ai

AU - Tsuboi, Hideyuki

AU - Hatakeyama, Nozomu

AU - Endou, Akira

AU - Takaba, Hiromitsu

AU - Kubo, Momoji

AU - Miyamoto, Akira

PY - 2010/12/1

Y1 - 2010/12/1

N2 - 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.

AB - 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.

KW - CaAlSiN:Eu

KW - Electronic structure

KW - Emission wavelength

KW - Phosphor

KW - Quantum chemistry

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T2 - 10th International Meeting on Information Display and International Display Manufacturing Conference and Asia Display 2010, IMID/IDMC/ASIA Display 2010

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