Large-scale electronic structure calculation of Eu doped BaMgAI 10O17: Effects of defects on its luminescence properties

Hiroaki Onuma; Hiroaki Tanno; Hideyuki Tsuboi; Michihisa Koyama; Akira Endou; Hiromitsu Takaba; Momoji Kubo; Carlos A. Del Carpio; Hiroshi Kajiyama; Tsutae Shinoda; Akira Miyamoto

Large-scale electronic structure calculation of Eu doped BaMgAI ₁₀O₁₇: Effects of defects on its luminescence properties

Hiroaki Onuma, Hiroaki Tanno, Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Hiroshi Kajiyama, Tsutae Shinoda, Akira Miyamoto

IMR - Materials Design Division

Research output: Contribution to conference › Paper › peer-review

5 Citations (Scopus)

Abstract

We have employed tight-binding quantum chemistry method involving a new calculation method for rare earth elements to calculate the electronic structure of BaMgAI₁₀O₁₇:Eu²⁺ (BAM). The new method considers the particular nature of the 4f orbitals which is specified by their location respect the nuclei and their degeneration properties. Our calculation results indicate that the oxygen vacancy in BAM cause the red-shift of luminescence color and the degradation of brightness.

Original language	English
Pages	373-376
Number of pages	4
Publication status	Published - 2006
Event	13th International Display Workshops, IDW '06 - Otsu, Japan Duration: 2006 Dec 6 → 2006 Dec 6

Conference

Conference	13th International Display Workshops, IDW '06
Country/Territory	Japan
City	Otsu
Period	06/12/6 → 06/12/6

Cite this

@conference{9f755eb120da430693c6904dbbd8f1b0,

title = "Large-scale electronic structure calculation of Eu doped BaMgAI 10O17: Effects of defects on its luminescence properties",

abstract = "We have employed tight-binding quantum chemistry method involving a new calculation method for rare earth elements to calculate the electronic structure of BaMgAI10O17:Eu2+ (BAM). The new method considers the particular nature of the 4f orbitals which is specified by their location respect the nuclei and their degeneration properties. Our calculation results indicate that the oxygen vacancy in BAM cause the red-shift of luminescence color and the degradation of brightness.",

author = "Hiroaki Onuma and Hiroaki Tanno and Hideyuki Tsuboi and Michihisa Koyama and Akira Endou and Hiromitsu Takaba and Momoji Kubo and {Del Carpio}, {Carlos A.} and Hiroshi Kajiyama and Tsutae Shinoda and Akira Miyamoto",

year = "2006",

language = "English",

pages = "373--376",

note = "13th International Display Workshops, IDW '06 ; Conference date: 06-12-2006 Through 06-12-2006",

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TY - CONF

T1 - Large-scale electronic structure calculation of Eu doped BaMgAI 10O17

T2 - 13th International Display Workshops, IDW '06

AU - Onuma, Hiroaki

AU - Tanno, Hiroaki

AU - Tsuboi, Hideyuki

AU - Koyama, Michihisa

AU - Endou, Akira

AU - Takaba, Hiromitsu

AU - Kubo, Momoji

AU - Del Carpio, Carlos A.

AU - Kajiyama, Hiroshi

AU - Shinoda, Tsutae

AU - Miyamoto, Akira

PY - 2006

Y1 - 2006

N2 - We have employed tight-binding quantum chemistry method involving a new calculation method for rare earth elements to calculate the electronic structure of BaMgAI10O17:Eu2+ (BAM). The new method considers the particular nature of the 4f orbitals which is specified by their location respect the nuclei and their degeneration properties. Our calculation results indicate that the oxygen vacancy in BAM cause the red-shift of luminescence color and the degradation of brightness.

AB - We have employed tight-binding quantum chemistry method involving a new calculation method for rare earth elements to calculate the electronic structure of BaMgAI10O17:Eu2+ (BAM). The new method considers the particular nature of the 4f orbitals which is specified by their location respect the nuclei and their degeneration properties. Our calculation results indicate that the oxygen vacancy in BAM cause the red-shift of luminescence color and the degradation of brightness.

UR - http://www.scopus.com/inward/record.url?scp=57649201119&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=57649201119&partnerID=8YFLogxK

M3 - Paper

AN - SCOPUS:57649201119

SP - 373

EP - 376

Y2 - 6 December 2006 through 6 December 2006

ER -

Large-scale electronic structure calculation of Eu doped BaMgAI ₁₀O₁₇: Effects of defects on its luminescence properties

Abstract

Conference

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