TY - GEN
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
UR - http://www.scopus.com/inward/record.url?scp=79959938190&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=79959938190&partnerID=8YFLogxK
M3 - Conference contribution
AN - SCOPUS:79959938190
SN - 9781617827020
T3 - Proceedings of International Meeting on Information Display
SP - 26
EP - 27
BT - 10th International Meeting on Information Display and International Display Manufacturing Conference and Asia Display 2010, IMID/IDMC/ASIA Display 2010
T2 - 10th International Meeting on Information Display and International Display Manufacturing Conference and Asia Display 2010, IMID/IDMC/ASIA Display 2010
Y2 - 11 October 2010 through 15 October 2010
ER -