Strontium titanate SrTiO3 (STO) is a canonical
example
of a quantum paraelectric, and its doping with manganese ions unlocks
its potential as a quantum multiferroic candidate. However, to date,
the specifics of incorporation of the manganese ion into the perovskite
lattice and its impact on structure–property relationships
are debatable questions. Herein, using high-precision X-ray diffraction
of a Mn (2 atom %)-doped STO single crystal, clear fingerprints of
the displacement disorder of Mn cations in the perovskite B-sublattice
are observed. Moreover, near the temperature of the antiferrodistortive
transition, the off-center Mn position splits in two, providing the
unequal potential barrier’s distribution for possible local
atomic hopping. A link with this was found via analysis of the dielectric
response that reveals two Arrhenius-type relaxation processes with
similar activation energies (35 and 43 meV) and attempt frequencies
(1 × 1011 and ∼1.6 × 1010 Hz),
suggesting similar dielectric relaxation mechanisms.
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