Some structural issues in surface alloys and alloy surfaces: rumpling, stacking faults and disorder
Some structural issues in surface alloys and alloy surfaces: rumpling, stacking faults and disorder
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DOI：
10.1016/s0169-4332(03)00627-5
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发表时间：
2003-10-15
影响因子：
6.7
通讯作者：
Robinson, J
中科院分区：
文献类型：
--
作者：
Woodruff, DP;Robinson, J
最近对表面合金相和块体合金表面的结构的实验研究已经揭示了Cu（I 11）和Ag（I 11）上Sb中界面堆垛层错的存在，由表面合金中减小的褶皱幅度所表现的有效原子半径的减小，以及Pt 25 Rh 75（I 11）表面处局部无序的证据。这些现象及其相关的系统学的简要回顾，连同新的密度泛函理论（DFT）的计算结果，旨在深入了解表面合金的褶皱和有效的原子半径在这样的表面相的问题。特别是，通过比较体和表面合金中的原子间距离，我们表明减少表面合金中的褶皱是一个真正的表面效应，独立于原子半径的定义。(C)2003 Elsevier Science B.V.保留所有权利。
Recent experimental studies of the structure of surface alloy phases and of the surface of bulk alloys have revealed the existence of interfacial stacking faults in Sb on Cu(I 1 1) and Ag(l 1 1), the reduction in effective atomic radii manifested by reduced rumpling amplitudes in surface alloys, and evidence for local disorder at the surface Of Pt25Rh75(l 1 1). A brief review of some of these phenomena and their associated systematics is presented, together with the results of new density functional theory (DFT) calculations aimed at gaining insight into the issue of surface alloy rumpling and effective atomic radii in such surface phases. In particular, by comparing interatomic distances in bulk and surface alloys we show the reduced rumpling in surface alloys is a true surface effect, independent of the definition of atomic radius. (C) 2003 Elsevier Science B.V. All rights reserved.