Surfactant mediated heteroepitaxy versus homoepitaxy: kinetics for group-IV adatoms on As-passivated Si(111) and Ge(111).
Surfactant mediated heteroepitaxy versus homoepitaxy: kinetics for group-IV adatoms on As-passivated Si(111) and Ge(111).
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表面活性剂介导的异质外延与同质外延：As 钝化的 Si(111) 和 Ge(111) 上 IV 族吸附原子的动力学。
DOI：
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发表时间：
2002
影响因子：
8.6
通讯作者：
S. Blügel
中科院分区：
文献类型：
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作者：
K. Schroeder;A. Antons;R. Berger;S. Blügel
通过从头计算，我们确定了 IV 族原子（Si、Ge 和 Sn）在 As 钝化 Si(111) 上 As 层顶部扩散以及与 As 原子交换的路径和活化能。 Si、Ge 和 Sn 吸附原子的动力学有很大不同：Si 吸附原子很容易并入 As 层下方。 Ge 吸附原子在 As 层顶部扩散得很远，并且可以到达现有的台阶。我们首次证明扩散势垒和交换势垒之间的比率很大程度上取决于生长的Ge 薄膜的应变。 Sn 原子保留在 As 层的顶部。
Using ab initio calculations we have determined the paths and activation energies for diffusion of group-IV atoms (Si, Ge, and Sn) on top of the As layer on As-passivated Si(111), and for exchange with an As atom. The kinetics of Si, Ge, and Sn adatoms is substantially different: Si adatoms are readily incorporated under the As layer. Ge adatoms diffuse far on top of the As layer and can reach existing steps. We show for the first time that the ratio between diffusion and exchange barriers depends strongly on the strain of the growing Ge film. Sn atoms remain on top of the As layer.