Subject: Re: CCL:energy of silicon surface dimer?

From: "Richard P. Muller" <[email-masked]>
Date: Wed, 01 Dec 1999 08:54:55 -0800

Anatoli Korkin wrote:
> 
> Dear Colleagues,
> 
> Does anyone has a good estimate (experimental or theoretical)
> for the bond energy in the "surface dimer" on Si(100)(2x1) surface?
> 
> Thanks,
> 
> Anatoli

Redondo and Goddard (J. Vac. Sci. Tech., 21,344 (1982)) found a dimer
energy of ~1.3 eV. A significant point is that the triplet is only ~0.1
eV uphill from the ground state dimer, which explains much of the
increased reactivity of the surface dimer.

I believe that M.C. Lin has also done some recent calculations on the
dimerization energy.

Rick
-- 
Richard P. Muller, Ph.D. 
[email-masked] 
http://www.wag.caltech.edu/home/rpm