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

    Research output: Contribution to conferencePaperpeer-review

    3 Citations (Scopus)


    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 languageEnglish
    Number of pages4
    Publication statusPublished - 2006
    Event13th International Display Workshops, IDW '06 - Otsu, Japan
    Duration: Dec 6 2006Dec 6 2006


    Other13th International Display Workshops, IDW '06

    All Science Journal Classification (ASJC) codes

    • Electrical and Electronic Engineering
    • Electronic, Optical and Magnetic Materials
    • Radiology Nuclear Medicine and imaging
    • Atomic and Molecular Physics, and Optics


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