Structural examination of Au/Ge(001) by surface x-ray diffraction and scanning tunneling microscopy
Structural examination of Au/Ge(001) by surface x-ray diffraction and scanning tunneling microscopy
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通过表面 X 射线衍射和扫描隧道显微镜检查 Au/Ge(001) 的结构
DOI：
10.1103/physrevb.85.235439
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发表时间：
2012
影响因子：
3.7
通讯作者：
F. Bechstedt
中科院分区：
文献类型：
--
作者：
S. Meyer;T. Umbach;C. Blumenstein;J. Schäfer;R. Claessen;S. Sauer;S. J. Leake;P. R. Willmott;M. Fiedler;F. Bechstedt
利用表面X射线衍射和扫描隧道显微镜的自相关函数研究了Au/Ge(001)的一维重构。扫描隧道显微镜的结果证实了SXRD-Patterson图中发现的原子间距离。Au的覆盖率最近被确定为单层金的3/4，再加上SXRD，导致Au在(82)晶胞中有三个不同的位置。结合来自STM地形和线剖面的结构信息，识别出两个构建块：顶线结构中的Au-Ge异质二聚体和沟槽中的Au均二聚体。利用密度泛函理论和基于模型的Patterson图，通过取代重构的Ge(001)表面上的Ge原子，讨论了这两个组分的结合。
The one-dimensional reconstruction of Au/Ge(001) was investigated by means of autocorrelation functions from surface x-ray diffraction (SXRD) and scanning tunneling microscopy (STM). Interatomic distances found in the SXRD-Patterson map are substantiated by results from STM. The Au coverage, recently determined to be 3/4 of a monolayer of gold, together with SXRD leads to three nonequivalent positions for Au within the(82) unit cell. Combined with structural information from STM topography and line profiling, two building blocks are identified: Au-Ge heterodimers within the top wire architecture and Au homodimers within the trenches. The incorporation of both components is discussed using density functional theory and model based Patterson maps by substituting germanium atoms of the reconstructed Ge(001) surface.