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    Study of electronic structures and absorption bands of BaMgF4 crystal with F colour centre

    171398_Zhang jan.pdf (327.0Kb)
    Access Status
    Open access
    Authors
    Kang, L.
    Liu, T.
    Zhang, Q.
    Xu, L.
    Zhang, Feiwu
    Date
    2011
    Type
    Journal Article
    
    Metadata
    Show full item record
    Citation
    Kang, Ling-Ling and Liu, Ting-Yu and Zhang, Qi-Rren and Xu, Ling-Zhi and Zhang, Fei-Wu. 2011. Study of electronic structures and absorption bands of BaMgF4 crystal with F colour centre. Chinese Physics. B 20 (4).
    Source Title
    Chinese Physics B
    DOI
    10.1088/1674-1056/20/4/047101
    ISSN
    16741056
    School
    Nanochemistry Research Institute (Research Institute)
    Remarks

    Copyright © 2011 IOP Institute of Physics

    This is an author-created, un-copyedited version of an article accepted for publication in Chinese Physics B. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The definitive publisher-authenticated version is available online at http://dx.doi.org/10.1088/16741056/20/4/047101

    URI
    http://hdl.handle.net/20.500.11937/3261
    Collection
    • Curtin Research Publications
    Abstract

    The electronic structures of BaMgF4 crystals containing an F colour centre are studied within the framework of the fully relativistic self-consistent Direc-Slater theory, using a numerically discrete variational (DV-Xa) method. It is concluded from the calculated results that the energy levels of the F colour centre are located in the forbidden band. The optical transition energy from the ground state to the excited state for the F colour centre is about 5.12 eV, which corresponds to the 242-nm absorption band. These calculated results can explain the origin of the absorption bands.

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