Chatterji, T.; Freeman, P. G.; Jimenez-Ruiz, M.; Mittal, R.; Chaplot, S. L.
ABSTRACT
We have investigated the temperature and
pressure variation of the M3 phonon mode of
ReO3 by inelastic neutron scattering on a single
crystal. The energy of the M3 phonon mode
decreases with decreasing temperature contrary to the normal
hardening behavior. The energy of this mode also decreases with
increasing pressure and tends to zero at about 3.5 kbar at T=150
K. The M3 mode softening drives the
pressure-induced phase transition in ReO3. The
temperature-induced softening of the M3 mode
on lowering the temperature can be understood from the known
negative thermal-expansion behavior and also from the fact that
the high pressure phase can also be approached at ambient
pressure by cooling. In order to understand the M3
phonon softening in ReO3 we have done
lattice-dynamical calculations that support the qualitative
arguments given above.