Surface barrier for electrons in metals.
Surface barrier for electrons in metals.
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金属中电子的表面势垒。
DOI：
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发表时间：
1988
期刊：
影响因子：
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通讯作者：
Weinert
中科院分区：
文献类型：
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作者：
Jennings;Jones;Weinert
采用全势线性增强平面波（FLAPW）薄膜方法，采用密度泛函方法计算了Al、Ni、Cu、Ag和W等金属表面的电子有效势。在每种情况下，平行于表面的电位的平均值通过具有三个可调参数的简单模型势垒很好地再现，不同金属和表面之间的变化相对较小。FLAPW计算还用于检查化学吸附对表面屏障的影响。这一结果为低能电子衍射精细结构和逆光电子能谱的分析提供了依据。
Density-functional calculations using the full-potential linearized augmented-plane-wave (FLAPW) film method have been used to compute the effective potential for electrons at different surfaces of Al, Ni, Cu, Ag, and W. In each case, the average of the potential parallel to the surface is reproduced well by a simple model barrier with three adjustable parameters, with relatively small variations between different metals and surfaces. FLAPW calculations have also been used to examine the effects of chemisorption on the surface barrier. The results of this work provide a basis for the analysis of low-energy-electron-diffraction fine-structure and inverse-photoemission spectra.