M. Rousseau et al., THE DYNAMIC SIGNATURE OF HIGHLY ANISOTROPIC CORRELATION NEAR THE PHASE-TRANSITION IN KCAF3, Journal of physics. Condensed matter, 9(42), 1997, pp. 8963-8971
In the framework of the structural instability studies in the archetyp
e perovskite compounds, the unusual mechanism of phase transition occu
rring in potassium calcium fluoride KCaF3, due to both condensation of
R(0.5, 0.5, 0.5) and M(0.5, 0.5, 0) points of the first cubic Brillou
in zone, was investigated by inelastic neutron scattering. The appeara
nce of a central component, and evidence of the softening of the whole
phonon branch (0.5,0.5,xi) of the reciprocal space, is displayed and
discussed in the framework of theoretical models, which take into acco
unt the strong anisotropy of the coupling constants driving the in-pla
ne or the plane-to-plane CaF6 octahedron rotations around the [001] cu
bic axis. Furthermore the behaviour of the soft modes, responsible for
the transition versus temperature, seems to indicate that an intermed
iate disordered phase with cubic average symmetry can be introduced in
such systems. The basis of an original model describing this structur
al phase transition, where rotations of rigid octahedra are symbolized
by pseudo-spins, is proposed.