Phonon modes for the symmetric and asymmetric dimer models of the Si(001)(2x1) surface


To be published in Surface Science (1997)

H.M.Tütüncü, S.J.Jenkins and G.P.Srivastava


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