Abstract

The atomic models of the Si(110)-5 × 8 and Ge(110)-c(10 × 8) surfaces, which are based on a universal building block for the family of the Si(110) and Ge(110) surfaces proposed in [33], are considered. Ab initio calculations demonstrate that these models give a much lower energy as compared to the models of the 5 × 8 and c(10 × 8) structures suggested earlier and agree in detail with experimental scanning tunneling microscopy images of these structures. The zigzag atomic chains in the 5 × 8 and c(10 × 8) structures are shown to buckle dynamically at room and elevated temperatures, which can explain the nature of the reversible structural transitions 16 × 2 ↔ 5 × 8 and 16 × 2 ↔ c(10 × 8) on the Si(110) and Ge(110) surfaces.

中文翻译：

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Si（110）-5×8和Ge（110）-c（10×8）表面的原子模型

摘要

Si（110）-5×8和Ge（110）-c（10×8）表面的原子模型，这些模型基于用于Si（110）和Ge（110）表面族的通用构件被认为是在[33]中提出的。从头算算表明，与先前提出的5×8和c（10×8）结构的模型相比，这些模型提供的能量低得多，并且与这些结构的实验扫描隧道显微镜图像详细吻合。显示5×8和c（10×8）结构中的之字形原子链在室温和升高的温度下会动态弯曲，这可以解释可逆结构转变的性质16×2↔5×8和16×2↔ c（10×8）在Si（110）和Ge（110）表面上。