Fig. 1
From: Visualization of the local dipole moment at the Si(111) surface using DFT calculations
(Color Online) Band dispersions of (a) the initial and (b) the optimized structures for the (\(2 \times 2\)) surface. The Fermi energy and the highest energy of the valence band are set to 0.0 eV for the initial and the optimized structures, respectively. Probability densities for the optimized structure at the K-point of (c) the conduction band and (d) the valence band edges.
