Geometry and phonon structure of the SiC(110) surface

We use an ab initio pseudopotential method within local-density approximation to determine the structural properties of the SiC(110) surface. The calculated structural parameters show a very good agreement with previous theoretical results. The phonon spectrum of this surface is also calculated from first principles using the linear response method in conjunction with the norm-conserving pseudopotential. In addition to this phonon spectrum, the atomic displacement patterns of selected surface phonon modes at the symmetry points are presented and discussed. (© 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)