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Perovskite solid solutions PbHfO3-PbSnO3 offer valuable opportunities for studying the formation mechsnisms of incommensurate phases, owing to the presence of an intermediate (between cubic and incommensurate) phase, which is stabilized in…

A transition in a spheroidal particle from the paraelectric to the ferroelectric phase as well as dynamic susceptibility are studied without approximation in the paraphase. It is assumed that the surface charge is compensated and the…

Materials Science · Physics 2008-07-22 O. Hudak

Ferroelectricity, a hallmark of spontaneous inversion-symmetry breaking, has been a central concept in condensed matter physics and functional materials research, yet recent discoveries are revealing that switchable polarization can emerge…

Materials Science · Physics 2026-05-11 Yudi Yang , Changming Ke , Shi Liu

Perovskites with tunable and switchable polarization hold immense promise for unlocking novel functionalities. Using density-functional theory, we reveal that intrinsic defects can induce, enhance, and control polarization in…

Materials Science · Physics 2025-06-03 Wahib Aggoune , Matthias Scheffler

A previously unreported Pb-based perovskite PbMoO$_3$ is obtained by high-pressure and high-temperature synthesis. This material crystallizes in the $Pm\bar{3}m$ cubic structure at room temperature, making it distinct from typical Pb-based…

Layers of perovskites, found in 3D materials, 2D heterostructures, and nanotubes, often distort from high symmetry to facilitate dipole polarisation that is exploitable in many applications. Using density-functional theory calculations,…

Materials Science · Physics 2025-11-14 Shaowen Xu , Jeffrey R. Reimers , Fanhao Jia , Wei Ren

Dabconium hybrid perovskites include a number of recently-discovered ferroelectric phases with large spontaneous polarisations. The origin of ferroelectric response has been rationalised in general terms in the context of hydrogen bonding,…

Materials Science · Physics 2020-06-11 Dominic J. W. Allen , Nicholas C. Bristowe , Andrew L. Goodwin , Hamish H. -M. Yeung

Potassium niobate (KNbO3) is a prototypical perovskite ferroelectric with large electro-optic and nonlinear optical responses, high optical damage thresholds and a rich sequence of temperature-driven phase transformations, making it a…

Materials Science · Physics 2026-01-27 Aiden Ross , Venkatraman Gopalan , Long-Qing Chen

Measurements of the polarization charge accumulated at the -z and the +z bases of the pyroelectric crystals of LiNbO3 and LiTaO3 during changes in temperature are described. An electrometer in the charge mode with its probe attached to the…

Atomic and Molecular Clusters · Physics 2007-05-23 James D. Brownridge , Sol Raboy

The intrinsic d.c. electrical resistivity ($\rho$) - measurable on single crystals only - is often the quantity first revealing the properties of a given material. In the case of CH$_3$NH$_3$PbI$_3$ perovskite measuring $\rho$ under white…

Strongly Correlated Electrons · Physics 2016-04-20 A. Pisoni , J. Jacimovic , B. Náfrádi , P. Szirmai , M. Spina , R. Gaál , K. Holczer , E. Tutis , L. Forró , E. Horváth

PbTiO$_3$ is a ferroelectric perovskite semiconductor with favourable electronic and optical properties, making it suitable for a wide range of applications, including photo-catalysis and (opto)electronic devices. Despite its relevance, an…

Materials Science · Physics 2025-12-03 Pietro Pacchioni , Lorenzo Varrassi , Cesare Franchini

A combined experimental and computational investigation of coupling between polarization and epitaxial strain in highly polar ferroelectric PbZr_0.2Ti_0.8O_3 (PZT) thin films is reported. A comparison of the properties of relaxed…

We have measured the dielectric constant and the pyroelectric current of orthorhombic (space group $Pbam$) NdCrTiO$_5$ polycrystalline samples. The dielectric constant and the pyroelectric current show features associated with ferroelectric…

Materials Science · Physics 2015-05-30 J. Hwang , E. S. Choi , H. D. Zhou , J. Lu , P. Schlottmann

Negative dielectric constant materials, once an incumbrance for physicists, are now the stockpiles of unique optical and microwave devices that will also avoid complex geometries. We report the observation of temperature dependent negative…

We compute for the first time a complete charge analysis (Bader and Born effective) on $X_3^{2+}$Bi$^{3-}$N$^{3-}$ ($X$=Ca,Sr,Ba). The crystals show a great electron sharing with little possibility of ferroelectricity. $Inverse$ perovskites…

Low temperature properties of BaZrO3 are revealed by combining experimental techniques (X-ray diffraction, neutron scattering and dielectric measurements) with theoretical first-principles-based methods (total energy and linear response…

Materials Science · Physics 2009-11-11 A. R. Akbarzadeh , I. Kornev , C. Malibert , L. Bellaiche , J. M. Kiat

Spontaneous polarization and bulk photovoltaic effect (BPVE) are two concomitant physical properties in ferroelectric materials. The flipping of ferroelectric order usually accompanies with the switching of BPVE as both of them are reversed…

Materials Science · Physics 2022-07-04 Rui-Chun Xiao , Yang Gao , Hua Jiang , Wei Gan , Changjin Zhang , Hui Li

Under normal conditions, bulk crystals of BiScO$_3$ , BiCrO$_3$, BiMnO$_3$, BiFeO$_3$, and BiCoO$_3$ present three very different variations of the perovskite structure: an antipolar phase, a rhombohedral phase with a large polarization…

Materials Science · Physics 2018-11-07 Akansha Singh , Viveka N. Singh , Enric Canadell , Jorge Íñiguez , Oswaldo Diéguez

We investigate the low temperature behaviour of Pb(In$_{1/2}$Nb$_{1/2}$)O$_{3}$-Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_{3}$-PbTiO$_{3}$ using dielectric permittivity measurements. We compare single crystal plates measured in the [001] and [111]…

Materials Science · Physics 2018-02-19 Philippa M. Shepley , Laura A. Stoica , Yang Li , Gavin Burnell , Andrew J. Bell

Recent theoretical and experimental advances in quantum ferroelectrics suggest that ferroelectricity can also emerge in non-polar space group, highlighting the limitations of conventional polar space group criteria in identifying…

Materials Science · Physics 2026-05-15 Wei Luo , Shihan Deng , Hongjun Xiang , Laurent Bellaiche