The reconstruction of the Si(110) surface and its interaction with Si adatoms
The reconstruction of the Si(110) surface and its interaction with Si adatoms
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Si(110)表面的重构及其与Si吸附原子的相互作用
DOI：
10.1103/physrevb.56.1412
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发表时间：
1997
影响因子：
3.7
通讯作者：
A. Andriotis
中科院分区：
文献类型：
--
作者：
M. Menon;Nectarios Lathiotakis;Nectarios Lathiotakis;A. Andriotis
使用结合格林函数方法的紧束缚分子动力学方案研究了 Si(110) 表面的重建和该表面上 Si 原子的化学吸附。本方法属于更一般类别的嵌入方法，其优点是允许将有限子空间有效地嵌入到无限或半无限基底中。我们的结果支持 $n\ifmmode\times\else\texttimes\fi{}1(ng~1)$ 类型的表面重建的旋转模型。发现 Si(110) 表面的重构通常在与 Si 吸附原子化学吸附时被去除，并且在表面空位存在的情况下选择性地被去除。
The reconstruction of the Si(110) surface and the chemisorption of the Si atom on this surface are investigated using a tight-binding molecular-dynamics scheme incorporating Green's-function methods. The present method belongs to a more general class of the embedding methods that have the advantage of allowing an efficient embedding of a finite subspace in an infinite or semi-infinite substrate. Our results support the rotational model for surface reconstruction of the $n\ifmmode\times\else\texttimes\fi{}1(ng~1)$ type. The reconstruction of the Si(110) surface was found to be removed, in general, upon chemisorption with Si adatoms and selectively in the presence of surface vacancies.