Structural, electronic and lattice dynamical properties of the BeS(110) surface

We present results for the relaxed atomic geometry, electronic states, and lattice dynamics of the BeS(110) surface. Our investigations are based on first principles pseudopotential calculations within the local density approximation of the density functional theory. The relaxed geometry of this surface follows the general trend observed for traditional III-V(110) and II-VI(110) surfaces, with a surface tilt of 26.3 deg. Surface localised phonon modes below and above the bulk continuum, and within the acoustic-optical gap region have been dtermined