Table 3 Back bond angles of adatoms.

From: Visualization of the local dipole moment at the Si(111) surface using DFT calculations

Adatom

Back bond angle (Deg.)

\((2\times 2)\)

121.6

\((7\times 7)\) CeU

122.0

\((7\times 7)\) CoU

122.3

\((7\times 7)\) CeF

122.2

\((7\times 7)\) CoF

122.8

  1. The labels correspond to those in Fig. 4. Due to the symmetry, the three back bonds of each adatom are distinguished into two types in the (\(7\times 7\)) surface, but the average values are shown here.