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中国物理学会期刊

倍层法计算碱金属诱导的Cu(110)-(1×2)表面再构

CSTR: 32037.14.aps.39.115

CALCULATION OF ALKALI MATEL INDUCED Cu(110)-(l×2) RECONSTRUCTED SURFACE BY LAYER DOUBLING METHED

CSTR: 32037.14.aps.39.115
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  • 本文介绍了低能电子衍射动力学计算中的倍层法,并用之计算了碱金属诱导的Cu(110)-(1×2)再构表面结构。计算结果表明,顶层原子向内收缩至1.13?的失排结构为最可靠结构。

     

    The layer doubling method of dynamic calculation of Low Energy Electron Diffraction is introduced. It was used to analyse the reconstruction of Cu(110)-(l×2) surface induced by adsorption of alkali metals. The result shows that missing row model with top layer spacing contracted to 1.13? is the most reliable structure.

     

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