Table 2 Voronoi partial charges at the DB sites for diffetential nominal charge-states of the DB pairs.

From: Tunneling spectroscopy of close-spaced dangling-bond pairs in Si(001):H

 

line (Q)

cross (Q)

site 1

site 2

site 1

site 2

0−

−0.01

−0.11

−0.01

−0.11

00

0.00

0.00

0.00

0.00

+−

0.07

−0.07

0.13

−0.10

+0

0.10

0.04

0.13

0.01

++

0.10

0.10

0.13

0.13

  1. As can be appreciated by the low partial charges, the DB states are not strictly localized to the DB sites in the surface, but have significant tails into the bulk region.
Back to article page