[Wien] Number of surface dangling bonds

[Oleg Rubel]

I did not work with surfaces of metals, but in the case of compound
semiconductors you actually count the number of electrons per dangling
bond. For example in GaAs there are 2e per bond: 3/4e from Ga and 5/4e from
As (group III and V, respectively). At the surface, dangling electrons will
transfer from electropositive to electronegative elements (much like a
self-compensation). If the number of Ga and As dangling bond is the same,
the resultant surface is non-metallic and very stable. The classical
example is GaAs (110) surface.

The electron counting becomes more complicated when dimers (As-As or Ga-Ga
bonds) get involved. The dimer will also act as a defect with a certain
number of "dangling" electrons associated with it. It is possible to form
an insulating (stable) surface by combining dimers and dangling bonds, for
example GaAs beta2(2x4) surface.

I hope this will help
Oleg


On Mon, Feb 17, 2014 at 4:55 AM, Salman Zarrini <
salman.zarrini at tu-darmstadt.de> wrote:
>
>
> Dear Wien2k users,
>
> The rates of surface dangling bonds can be represented in the surfaces
energy, however, I was wondering if there are any other ways to number the
surface dangling bonds of a multi-element metallic surface?
>
> Cheers,
>
> Salman
>
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