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  • Ni(001)/Ni3Nb(001)面界面性质的第一性... Ni(001)/Ni3Nb(001)面界面性质的第一性原理研究
    文志勤; 赵宇宏; 侯华 ... 中国有色金属学报(英文版), 2014, Volume: 24, Issue: 5
    Journal Article
    Peer reviewed

    采用第一性原理赝势平面波的方法研究Ni (001)、Ni3Nb (001)表面和Ni/Ni3Nb (001)界面.计算界面终端为Ni或Ni+Nb,堆积方式为顶部位置或空心位置这4种界面模型的粘附功、稳定性及电子结构.结果表明:Ni (001)和 Ni3Nb ...
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