Les propriétés vibrationnelles du composG SrS dans la phase

Abstract

In this work we studied the vibrational properties of the semicor:ductor SrS using the plane wave pseudopotentiel in the frame work of the density functional theory within ihe generalized gradient approximation (GGA) as implemented in the ABINIT code. The exchange-correlation energy was treated using the Perdew-Burke-Ernzerhof functional (PBE). The structural parameters are obtained by calculating the energy as function of volume. The phonon spectra are calculated together with the partial and the total densities of states at the high symmetry points and along the lines joining them. The Born effective charges are also evaluated and found to satis$r the acoustic sum rule.