Abstract A novel low-dimensional structure of Pb is found to form on the B-segregated heavily doped p-type Si(111) substrate. The hole doping changes the growth mode of the Pb/Si(111) layer resulting in the formation of a double-layer film, which structure drastically differs from the typical single-layer hexagonal incommensurate (HIC) or striped incommensurate (SIC) phases in the Pb/Si(111) system. Using scanning tunneling microscopy, angle-resolved photoelectron spectroscopy, and density functional theory calculations, the atomic arrangement and electronic band structure of this surface reconstruction were examined. Two possible models were proposed both being constructed from the similar Pb bilayer ( Θ P b = 2 ML) with 3 × 3 periodicity, but having different orientations relative to the B-segregated Si(111) substrate. Both models produce a similar electronic band structure consistent with an experimentally obtained ARPES spectrum.

中文翻译：

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在 B 偏析的 Si(111) 表面上形成双层 Pb 重建

摘要 发现在 B 隔离的重掺杂 p 型 Si(111) 衬底上形成了一种新的 Pb 低维结构。空穴掺杂改变了 Pb/Si(111) 层的生长模式，导致形成双层膜，其结构与典型的单层六方不公度 (HIC) 或条纹不公度 (SIC) 相在Pb/Si(111) 系统。使用扫描隧道显微镜、角分辨光电子能谱和密度泛函理论计算，研究了这种表面重建的原子排列和电子能带结构。提出了两种可能的模型，它们均由具有 3 × 3 周期性的类似 Pb 双层（Θ P b = 2 ML）构建，但相对于 B 隔离的 Si（111）衬底具有不同的取向。