Static and dynamic strain relaxation associated with the paraelectric-antiferroelectric phase transition in PbZrO3

Carpenter, Michael A.; Salje, Ekhard K. H.; Costa, Miguel B.; Majchrowski, A.; Roleder, Krystian

doi:10.1016/j.jallcom.2021.162804

Cited by 5 publications

(3 citation statements)

References 45 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Recently, a theoretical framework has rather suggested that another trilinear coupling term, which is similar to flexoelectricity but that involves gradients of the octahedral tilt modes rather than strain, is responsible for the ground state of PZO with Pbam symmetry 18 . In contrast, a recent experimental work using resonant ultrasound spectroscopy has rather suggested biquadratic and higher order terms couplings through strains between R and Σ modes 19 . Remarkably, Ref.…”

Section: Introductionmentioning

confidence: 88%

A new look at the temperature-dependent properties of the antiferroelectric model PbZrO3: an effective Hamiltonian study

Patel,

Xu,

Prosandeev

et al. 2022

Preprint

View full text Add to dashboard Cite

A novel atomistic effective Hamiltonian scheme, incorporating an original and simple bilinear energetic coupling, is developed and used to investigate the temperature dependent physical properties of the prototype antiferroelectric PbZrO 3 (PZO) system. This scheme reproduces very well the known experimental hallmarks of the complex Pbam orthorhombic phase at low temperatures and the cubic paraelectric state of Pm 3m symmetry at high temperatures. Unexpectedly, it further predicts a novel intermediate state also of Pbam symmetry, but in which anti-phase oxygen octahedral tiltings have vanished with respect to the Pbam ground state. Interestingly, such new state exhibits a large dielectric response and thermal expansion that remarkably agree with previous experimental observations and the x-ray experiments we performed. We also conducted direct first-principles calculations at 0K which further support such low energy phase. Within this fresh framework, a re-examination of the properties of PZO is thus called for.

show abstract

Section: Introductionmentioning

confidence: 88%

A new look at the temperature-dependent properties of the antiferroelectric model PbZrO3: an effective Hamiltonian study

Patel,

Xu,

Prosandeev

et al. 2022

Preprint

View full text Add to dashboard Cite

show abstract

“…On the other hand, the nature of antiferroelectricity in PbZrO 3 (PZ) and the complexity of its phase diagram continue to surprise. Despite being a 70-year-old material, in just the last decade discoveries have been made regarding its complex phase transition mechanism at T C [4][5][6]; an unconventional paraelectric phase with polar regions and a triple point at which the cubic phase, modulated phase, and unmodulated phase coexist [7]; jerky domain wall propagation [8]; a flexoelectric effect [9]; giant negative electrocaloric effect [2,3,10]; a unit-cell-wise energy storage pathway and transient phase with cycloidal order of polarization [11]; and anomalously slow relaxation times for changes in the order parameter in response to an induced shear strain [12]. It was also reported that the thermal conductivity of antiferroelectric PZ can be bidirectionally switched upon the application of an electric field or thermal excitation [13].…”

Section: Introductionmentioning

confidence: 99%

Weak low-temperature polarity in a PbZrO3 single crystal

et al. 2023

Self Cite

View full text Add to dashboard Cite

We report the existence of a low-temperature polar phase in PbZrO 3 below 270 K. The temperature dependence of resultant polarization was assigned from pyroelectric current changes measured after poling the single crystal or ceramic in a DC electric field. This was observed in single crystals and ceramics and may have a connection with the presence of polar (ferrielectric) antiphase boundaries inside the antiferroelectric phase. The transition point is demonstrated by changes in domain structure and anomalies in dielectric permittivity and losses in as-grown single crystals and ceramic samples.

show abstract

“…Recently, a theoretical framework has rather suggested that another trilinear coupling term, which is similar to flexoelectricity but that involves gradients of the octahedral tilt modes rather than strain, is responsible for the ground state of PZO with Pbam symmetry [18]. In contrast, a recent experimental work using resonant ultrasound spectroscopy has rather suggested biquadratic and higher-order terms couplings through strains between the R and modes [19]. Remarkably, the authors of Ref.…”

Section: Introductionmentioning

confidence: 99%

Temperature-dependent properties of the antiferroelectric model PbZrO3 : An effective Hamiltonian study

Patel

Prosandeev

et al. 2022

Phys. Rev. B

View full text Add to dashboard Cite

A novel atomistic effective Hamiltonian scheme, incorporating an original and simple bilinear energetic coupling, is developed and used to investigate the temperature-dependent physical properties of the prototype antiferroelectric PbZrO 3 (PZO) system. This scheme reproduces very well the known experimental hallmarks of the complex Pbam orthorhombic phase at low temperatures and the cubic paraelectric state of Pm 3m symmetry at high temperatures. Unexpectedly, it further predicts a novel intermediate state also of Pbam symmetry, but in which antiphase oxygen octahedral tiltings have vanished with respect to the Pbam ground state. Interestingly, such a new state exhibits a large dielectric response and thermal expansion that remarkably agrees with previous experimental observations and the x-ray experiments we performed. We also conducted direct first-principles calculations at 0 K, which further support such a low-energy phase. Within this fresh framework, a reexamination of the properties of PZO is thus called for.

show abstract

Static and dynamic strain relaxation associated with the paraelectric-antiferroelectric phase transition in PbZrO3

Cited by 5 publications

References 45 publications

A new look at the temperature-dependent properties of the antiferroelectric model PbZrO3: an effective Hamiltonian study

A new look at the temperature-dependent properties of the antiferroelectric model PbZrO3: an effective Hamiltonian study

Weak low-temperature polarity in a PbZrO3 single crystal

Temperature-dependent properties of the antiferroelectric model PbZrO3 : An effective Hamiltonian study

Contact Info

Product

Resources

About