Cu doping in the KTa1–x
Nb
x
O3 crystal was investigated
comprehensively
from the dielectric measurement, global ferroelectric property, electro-optic
(EO) modulation, and local structure. The orientation of the domain
structure can be stabilized by Cu doping and is immune to thermal
disturbance in the ferroelectric phase, and the field-driven activity
of polar nanoregions (PNRs) can be decreased in the paraelectric phase.
The coercive field was reduced and the reversal process of the domain
structure was greatly changed, which could be attributed to the enhanced
heterogeneity and the driving force provided by the defect dipole,
respectively. The frequency dependence of the EO modulation depth
for KTN and KTN:Cu crystals implied that Cu doping can strengthen
the multiscale inhomogeneity and polarization of PNRs. Based on the
first-principles calculation, the octahedral distortions of KTN and
KTN:Cu were calculated, and the results implied that Cu doping can
result in a greater octahedron distortion, thus enhancing the local
heterogeneity and resulting in stronger local polarization. The study
will provide guidance for the growth of crystals to realize the optimization
and design of functional materials.