Structural model of the Au-induced Si(553) surface: Double Au rows
Structural model of the Au-induced Si(553) surface: Double Au rows
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DOI：
10.1103/physrevb.81.115436
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发表时间：
2010-03-01
影响因子：
3.7
通讯作者：
Krawiec, Mariusz
中科院分区：
文献类型：
--
作者：
Krawiec, Mariusz
提出了一种Au诱导Si（553）表面的结构模型。该模型是基于最近修订的值Au覆盖0.48单层，这表明在每个Si（553）平台上形成两个金链。所得的结构模型，如其他相邻Si表面的模型，具有蜂窝链的特征，但没有观察到台阶边缘的屈曲，这与Si（335）-Au和Si（557）-Au表面的情况不同。该模型比仅含单Au链的模型更稳定，且与已有的实验数据吻合较好。特别是，计算的能带结构，具有两个金属带来自两个链中的金与相邻的Si原子的杂交，以及匹配的光电发射数据。此外，理论扫描隧道显微镜拓扑图与实验保持良好一致。
A structural model of Au induced Si(553) surface is proposed. The model is based on the recently revised value of Au coverage of 0.48 monolayers, which suggests the formation of two gold chains on each Si(553) terrace. The resulting structural model, such as the models of other vicinal Si surfaces, features the honey-comb chain, but no buckling of the step edge is observed, unlike in the case of the Si(335)-Au and Si(557)-Au surfaces. The present model is more stable than the models with single Au chain only, and agrees well with existing experimental data. In particular, calculated band structure, featuring two metallic bands coming from the hybridization of gold in both chains with neighboring Si atoms, matches well the photoemission data. Moreover, theoretical scanning tunneling microscopy topographs remain in good agreement with the experiment.