Solving a Long-Standing Problem Regarding Atomic Structure of Si(100)2×3-Ag.

The atomic structure of the Si(100)2×3-Ag reconstruction has remained unknown for more than 25 years since its first observation with scanning tunneling microscopy, despite a relatively small unit cell and seeming abundance of the available experimental data. We propose a structural model of the Si(100)3×2-Ag reconstruction which comfortably fits all the principal experimental findings, including our own and those reported in the literature. The model incorporates 3 Si atoms and 4 Ag atoms per the 2 × 3 unit cell forming linear atomic chains along the 3aSi-periodic direction. A peculiar feature of the Si(100)2×3-Ag structure is the occurrence of the inner Si dimers in the second atomic layer from the top of the Si(100) substrate. The reconstruction is proved to possess semiconducting properties.