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    Article

    Density functional study of Pu2C3

    The structural, magnetic, electronic, vibrational, thermodynamic and elastic properties of plutonium sesquicarbide (Pu2C3) are investigated based on density functional theory. The use of the Hubbard term to desc...

    Rong Yang, Bin Tang, Tao Gao, Bing Yun Ao in The European Physical Journal B (2017)

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    Article

    The structural, electronic, and optical properties of NpO2 and PuO2: a hybrid density-functional-theory study

    The structural, electronic, and optical properties of NpO2 and PuO2 have been investigated by means of the hybrid density functional theory (HDFT) using the full-potential linearized augmented plane (FP-LAPW) wav...

    Shi-Chang Li, Yong Guo, Tao Gao, Bing-Yun Ao in The European Physical Journal B (2015)