Ge/Si(113)-(2×2)表面:自间隙原子引起的结构特征

Ge/Si(113)-(2×2) surfaces: Structural features induced by self-interstitial atoms

基于对Ge在Si(113)上外延生长的扫描隧道显微学观察和第一性原理总能量和能带的计算 ,作者确定了Ge/Si(113) (2× 2 )表面的结构 .它是由沿 [1- 10 ]方向的反键增原子列和倾斜五聚体列交替排列而成 .其中五聚体的形成是由于处于亚表面的自间隙原子的作用 .这一发现说明自间隙原子的存在是 (113)

Based on scanning tunneling microscopy observations of the epitaxial growth of Ge on Si(113) and first-principles total energy and band calculations, we demonstrate that the Ge/Si(113)-(2×2) surface is made up of alternating [1-10]-oriented rows of rebonded adatoms and tilted pentamers of five atoms, where each pentamer is stabilized by a self-interstitial atom at the subsurface. This finding indicates that existence of self-interstitial atoms is an intrinsic property of (113)-oriented surfaces.