LAUSR

We have performed first-principles calculations to investigate the structural, electronic, magnetic, lattice dynamics, and thermodynamic properties of ferromagnetic alkaline earth metal nitrides CaN, SrN, and BaN in the rocksalt structure using the plane-wave pseudopotential approach to the density functional theory within local density and generalized gradient approximations for the exchange and correlation potential. The linear response to the density functional theory allowed us to calculate the phonon dispersion spectra for these compounds. We reported also the results on thermodynamic properties as a function of temperature calculated by using the quasiharmonic approximation.