Phonon modes for the symmetric and asymmetric dimer models of the Si(001)(2x1) surface
To be published in Surface Science (1997)
Semiconductor Physics Group, Department of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL, United Kingdom
We present a study of the phonon modes for the symmetric and
asymmetric dimer models of the Si(001)(2x1) surface calculated within
the adiabatic bond-charge model. The structural models used in this
work were obtained from ab initio pseudopotential total energy
calculations, which favour the asymmetric dimer configuration, in line
with recent theoretical consensus.
Stephen Jenkins
Last modified: Fri Dec 6 13:21:34 GMT 1996