Domain morphology controlled crystal habits in PbTiO3 nanocrystals

•Various crystal habits of PbTiO3 nanoparticles were examined by TEM.•90° and 180° domains were explored in the nanocrystal.•Crystal habits and domain structures were correlated.•Domain wall energies were estimated.

Various crystal habits and associated domain structures in PbTiO3 nanocrystals synthesized by a modified sol–gel method have been studied. Structural and morphological characterizations of synthesized nanoparticles have been done by X-ray diffraction (XRD) and transmission electron microscopy (TEM). It was found from the -z coordinates of O1 and O2 that the Ti–O6 octahedra were distorted slightly, favorable for the ferroelectric nature. TEM images show butterfly like, plate like, irregular sphere like and oval-shaped habits of the nanocrystals. 90° and 180° domain structures in these crystal habits were explored from their morphologies and appearance in the field of views. The mutual association between the crystal habit and the direction spontaneous polarization Ps due to domain structures was explored. Domain wall energies of 90° and 180° domains were also estimated from the kinetic process of domain nucleation.

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