New structural model of the high-index Si(5 5 12)2 × 1 surface

Combining first-principles total-energy calculation and scanning tunnelling microscopy (STM), we obtain the atomic structure of the high-index Si(5 5 12)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.