  A detailed study of the high-pressure structural properties, lattice dynamics
and band structures of perovskite structured fluorides KZnF3, CsCaF3 and BaLiF3
has been carried out by means of density functional theory. The calculated
structural properties including elastic constants and equation of state agree
well with available experimental information. The phonon dispersion curves are
in good agreement with available experimental inelastic neutron scattering
data. The electronic structures of these fluorides have been calculated using
the quasi particle self-consistent [Formula: see text] approximation. The
[Formula: see text] calculations reveal that all the fluorides studied are wide
band gap insulators, and the band gaps are significantly larger than those
obtained by the standard local density approximation, thus emphasizing the
importance of quasi particle corrections in perovskite fluorides.
