Abstract
Combining first-principles total-energy calculation and scanning tunnelling microscopy (STM), we obtain the atomic structure of the high-index Si(5 5 1 2)2 × 1 surface, which is a promising template for growing one-dimensional metal nanowires. The equilibrium structure contains honeycomb chains, dimers, adatoms, and tetramers, which are building blocks of other reconstructed Si surfaces. The structure can account for STM images as well as other available experimental data.
| Original language | English |
|---|---|
| Pages (from-to) | 183-189 |
| Number of pages | 7 |
| Journal | Surface Science |
| Volume | 557 |
| Issue number | 1-3 |
| DOIs | |
| State | Published - 2004.05.20 |
Keywords
- Ab initio quantum chemical methods and calculations
- Adatoms
- High index single crystal surfaces
- Scanning tunneling microscopy
- Silicon
- Surface structure, morphology, roughness, and topography
Quacquarelli Symonds(QS) Subject Topics
- Materials Science
- Physics & Astronomy
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