Ferroelectric BaTiO3 nanoparticles: Electron structure and properties

Ferroelectric PbTiO3 nanoparticles and their properties

“…Comparison of the energy properties of NP(Ba) systematized in [7] and of those of NP(Pb) in this work shows that energy consumption in formation of the shell structure of NP(Pb) is much higher up to the size of 1000 nm. It has been shown in our previous work [7] that a significant difference in the size of NPs of BaTiO 3 (200 nm) and PbTiO 3 (≈30 nm) corresponding to the transition from the ferroelectric to the paraelectric phase is related to polarizability of Ba and Pb atoms. This expands the scope of problems in the field of studying ferroelectric properties of PbTiO 3 NPs.…”

“…In our previous work, the unique difference in the critical sizes of NPs of perovskites MTiO 3 , M = Ba, Pb, corresponding to transitions from the ferroelectric phase to the paraelectric phase was studied on the basis of the NP shell theory [7]: ≈30 nm in PbTiO 3 , but 200 nm in BaTiO 3 . Here, we study the ferroelectric properties of NPs of PbTiO 3 as compared to NPs of BaTiO 3 : (1) the shell model of NP(Pb) and NP(PbTiO 3 ); (2) comparison of structural properties of PbTiO 3 and BaTiO 3 : tetragonal parameters of crystals c/a and similarity and difference in the properties of NP(Pb) and NP(Ba); (3) why PbTiO 3 has high temperature T c = 500°C as compared to T c = 120°C in BaTiO 3 ; and (4) dielectric properties of NPs of PbTiO 3 in ferroelectric and paraelectric phases.…”

“…This work studies the properties of NP(Pb) in the terms of the shell model that has been used in [7] for NP(Ba). The model is based on the energy parameters of excited states of Pb atoms measured using the atomic spectroscopy technique [9].…”