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First-principles calculations were performed to investigate the ferroelectric properties of barium titanate and bismuth ferrite, as well as phonon dispersion of BaTiO3, using density functional theory and density functional perturbation…

材料科学 · 物理学 2014-12-08 Hong-Jian Feng

We explain the phenomena of ferroelectric phase transition temperature $T_c$ enhancement beyond the end members in perovskite solid solutions like BiMeO$_3$-PbTiO$_3$ (Me=Sc, In, etc.) is related to nonlinear and spatial correlation…

材料科学 · 物理学 2009-11-10 V. A. Stephanovich , M. D. Glinchuk , C. A. Randall

The temperature dependence of elastic, dielectric, and piezoelectric properties of (65-x)Pb(Mg1/3Nb2/3)O3-xBaTiO335-PbTiO3 ceramics with x=0, 1, 2, 3, and 4 was investigated. Compound with x=2 was found to exhibit a large piezoelectric…

材料科学 · 物理学 2013-01-17 Lizhu Huang , Guorong Li , Desheng Fu , Suzie Sheng , Jiangtao Zeng , Huarong Zeng

Despite soaring performance of organic-inorganic hybrid perovskite materials in recent years, the mechanism of their decomposition at actual operation condition has been elusive. Herein, we elucidated the decrystallization process of…

Using first-principles calculations, we predict that tunable ferroelectricity can be realized in oxide perovskites with the Grenier structure and ordered oxygen vacancies. Specifically, we show that $R_{1/3}A_{2/3}\mathrm{FeO}_{2.67}$…

材料科学 · 物理学 2023-07-12 Yongjin Shin , Giulia Galli

Statistical theory of the dielectric susceptibility of polar liquid crystals is proposed. The molecules are not uniaxial but similar to cones. It is assumed that the permanent dipole moment of a molecule is parallel to the axis of the…

软凝聚态物质 · 物理学 2011-02-04 A. Kapanowski , T. Wietecha

The dipole ordering in Sn(Pb)$_2$P$_2$S(Se)$_6$ materials may be tuned by chemical substitution realizing a ferroelectric quantum phase transition and quantum glassy or relaxor type phenomena on different parts of the phase diagram. The…

材料科学 · 物理学 2021-02-03 I. Zamaraite , V. Liubachko , R. Yevych , A. Oleaga , A. Salazar , A. Dziaugys , J. Banys , Yu. Vysochanskii

We report the thermoelectric properties of polycrystalline samples of Ca3Pb1-xBixO (x = 0, 0.1, 0.2) and Ca3SnO, both crystallizing in a cubic antiperovskite-type structure. The Ca3SnO sample shows metallic resistivity and its…

材料科学 · 物理学 2020-06-12 Yoshihiko Okamoto , Akira Sakamaki , Koshi Takenaka

In the last ten years significant advances have been made in our understanding and ability to compute and predict properties of ferroelectrics and piezoelectrics using fundamental physics. Phase diagrams, electromechanical and elastic…

材料科学 · 物理学 2007-05-23 Ronald E. Cohen

Pyroelectric current and magnetoelectric coupling measurements on polycrystalline samples of the quadruple perovskite (LaMn$_{3}$)Mn$_{4}$O$_{12}$ give evidence of ferroelectricity driven by the antiferromagnetic ordering of the $B$-site…

Electrostriction is an important material property that characterizes how strain changes with the development of polarization inside a material. We show that \textit{ab initio }techniques developed in recent years can be exploited to…

材料科学 · 物理学 2016-06-24 Z. Jiang , R. Zhang , F. Li , L. Jin , N. Zhang , D. Wang , C. -L. Jia

We performed first principles calculations for epitaxially strained orthorhombic CaTiO$_3$. The computational results reveal the existence of a metastable ferroelectric phase at compressive strain with unexpected in-plane polarization.…

材料科学 · 物理学 2013-08-27 Qibin Zhou , Karin M. Rabe

An atomistic effective Hamiltonian technique is used to investigate the finite-temperature energy storage properties of a ferroelectric nanocomposite consisting of an array of BaTiO$_{3}$ nanowires embedded in a SrTiO$_{3}$ matrix, for…

The electrical polarization switching on stoichiometric GaFeO$_{3}$ single crystal was measured, and a new model of atomic displacements responsible for the polarization reverse was proposed. The widely adapted mechanism of polarization…

In the interaction of a transversely polarized nuclear beam with a tensor-polarized deuteron target, a nonzero value of the component of the total cross section of the process corresponding to this combination of polarizations is an…

核理论 · 物理学 2023-11-21 Yu. N. Uzikov , M. N. Platonova

A previously unreported ferroelectric phase has been revealed on a highly homogeneous sample of Pb(Zr0.52Ti0.48)O3 by high-resolution synchrotron x-ray powder diffraction measurements. At ambient temperature the sample has tetragonal…

材料科学 · 物理学 2009-10-31 B. Noheda , D. E. Cox , G. Shirane , J. A. Gonzalo , L. E. Cross , S-E. Park , .

High-temperature electronic materials are in constant demand as the required operational range for various industries increases. Here we design $(A,A^\prime)B_2$O$_6$ perovskite oxides with [111] ``rock salt" $A$-site cation order and…

材料科学 · 物理学 2014-06-11 Joshua Young , James M. Rondinelli

For pyroelectric sensor application, materials having large ferroelectric polarization at low applied field and high pyroelectric sensitivity are required. PVDF is one of the ferroelectric polymers, which is being used for pyroelectric…

材料科学 · 物理学 2009-02-13 S. Satapathy , P. K. Gupta , K. B. R. Varma

Pb-based perovskites with multiple cations are fascinating materials showing various phenomena such as high piezoelectric, electromechanical, and relaxor properties. While chemical disordering accompanied by polar nanoregions and nanosized…

Vector optical vortices exhibit complex polarisation patterns due to the interplay between spin and orbital angular momenta. Here we demonstrate, both analytically and with simulations, that certain polarisation features of optical vortex…

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