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Surface alloying in the Sn/Ni(111) system studied by synchrotron radiation photoelectron valence band spectroscopy and ab-initio density of states calculations

机译:同步辐射光电子价带光谱法研究Sn / Ni(111)系统中的表面合金化和状态的从头算密度

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摘要

Photoelectron spectroscopy using synchrotron radiation and ab-initio electronic structure calculations were used in order to describe the fine structure of the valence band in the Sn/Ni(111) system. The characteristic contributions of each metal in the valence band photoemission spectra obtained with a photon energy of 80 eV and their changes upon the formation of the (3~1/2 × 3~1/2)R30° Sn/Ni(111) surface alloy were also born out in the calculated density-of-states curves in fair agreement with the experiments. The Sn-Ni interaction leads to a considerable broadening of the valence band width at the bimetallic surfaces.
机译:为了描述Sn / Ni(111)系统中价带的精细结构,使用了使用同步加速器辐射的光电子能谱和从头算电子结构计算。每种金属在以80 eV的光子能量获得的价带光电子发射光谱中的特征贡献及其在(3〜1/2×3〜1/2)R30°Sn / Ni(111)表面形成时的变化合金在计算的态密度曲线中也与实验完全吻合。 Sn-Ni相互作用导致双金属表面的价带宽度相当大的加宽。

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