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Ferroelectrics under suitable electric boundary conditions can present a negative capacitance response, whereby the total voltage drop across the ferroelectric opposes the externally applied bias. When the ferroelectric is in a…

Materials Science · Physics 2025-08-19 Mónica Graf , Natalya S. Fedorova , Hugo Aramberri , Jorge Íñiguez-González

We use a combination of symmetry arguments and first-principles calculations to explore the connection between structural distortions and ferroelectricity in the perovskite family of materials. We explain the role of octahedral rotations in…

Materials Science · Physics 2013-08-01 Nicole A. Benedek , Craig J. Fennie

The coupling between strain gradients and polarization, known as flexoelectricity, offers a new mechanism to control the functionality of dielectric materials. However, for the effect to be practically attractive, dynamic control of the…

Electro-active materials are classified as electrostrictive and piezoelectric materials. They deform under the action of an external electric field. Piezoelectric material, as a special class of active materials, can produce an internal…

Numerical Analysis · Mathematics 2024-04-16 Nima Noii , Mehran Ghasabeh , Peter Wriggers

Flexoelectricity - polarization induced by strain gradients - offers a route to polar functionality in centrosymmetric dielectrics, where traditional piezoelectric effects are absent. This study investigates the flexoelectric effect in…

SrTiO$_{3}$ is known to be an incipient ferroelectric. It is thought that ferroelectric stability in SrTiO$_{3}$ is suppressed by a delicate competition with quantum fluctuation and antiferrodistortion. The ferroelectric phase can, however,…

Materials Science · Physics 2014-04-22 Ashima Arora , Goutam Sheet

We analyze the electromechanical response of the 180 degree ferroelectric domain wall in tetragonal PbTiO3 by combining first-principles calculations with a Landau-Ginzburg-Devonshire (LGD) description. Using regular multidomain structures…

Materials Science · Physics 2025-12-18 I. Rychetsky , A. Klic , W. Schranz

With the advent of increasingly elaborate experimental techniques in physics, chemistry and materials sciences, measured data are becoming bigger and more complex. The observables are typically a function of several stimuli resulting in…

The question whether ferroelectricity (FE) may coexist with a metallic or highly conducting state, or rather it must be suppressed by the screening from the free charges, is the focus of a rapidly increasing number of theoretical studies…

Materials Science · Physics 2019-02-20 F. Cordero , F. Trequattrini , F. Craciun , H. T. Langhammer , D. A. B. Quiroga , P. S. Silva

We investigate the emergence of Bloch-type polarization components in 180$^\circ$ ferroelectric domain walls in bulk PbTiO$_{3}$ under varying mechanical boundary conditions, using first-principles simulations based on density functional…

Multifunctional oxides are promising materials because of their fundamental physical properties as well as their potential in applications1. Among these materials, multiferroics exhibiting ferroelectricity and magnetism are good candidates…

Materials Science · Physics 2010-11-16 B. Kundys , M. Viret , D. Colson , D. O. Kundys

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…

Recent interests towards novel functionalities arising at domain walls of ferroic materials naturally call for a microscopic understanding. To this end, first-principles calculations have been performed in order to provide solid evidence of…

Materials Science · Physics 2014-04-09 Paolo Barone , Domenico Di Sante , Silvia Picozzi

BaTiO$_3$ (BTO) is a prototypical perovskite ferroelectric, whose dielectric permittivity and loss spectra -- which are strongly temperature and frequency dependent -- include contributions from inhomogeneous polarization patterns, with…

Materials Science · Physics 2024-07-31 Ashok Gurung , Mohammad Fatin Ishtiyaq , S. Pamir Alpay , John Mangeri , Serge Nakhmanson

In the realm of modern materials science and advanced electronics, ferroelectric materials have emerged as a subject of great intrigue and significance, chiefly due to their remarkable property of reversible spontaneous polarization. This…

Materials Science · Physics 2025-07-31 Kai Kong , Qiang Wang , Yixuan Li , Yitong Liang

Very sensitive responses to external forces are found near phase transitions. However, phase transition dynamics and pre-equilibrium phenomena are difficult to detect and control. We have directly observed that the equilibrium domain…

Flexoelectricity describes the coupling between polarization and strain/stress gradients in insulating crystals. In this paper, using the Landau-Ginsburg-Devonshire phenomenological approach, we found that flexoelectricity could increase…

Materials Science · Physics 2015-06-04 Hao Zhou , Jiawang Hong , Yihui Zhang , Faxin Li , Yongmao Pei , Daining Fang

The effect of Sr doping in BaTiO3 (BTO) with nominal compositions Ba0.80Sr0.20TiO3 (BSTO) have been explored in its structural, lattice vibration, dielectric, ferroelectric and electrocaloric properties. The temperature dependent dielectric…

Materials Science · Physics 2020-03-02 Satish Yadav , Mohit Chandra , R. Rawat , Vasant Sathe , A. K. Sinha , Kiran Singh

Ferroelectric materials with built-in electric fields are useful for ultrafast electronics and solar cells. Using ultrafast electron diffraction, we here report that ferroelectric BaTiO$_3$ reacts to light with a polarization-sensitive…

Materials Science · Physics 2026-03-27 Atal Bihari Swain , Somnath Kale , Rohit Soni , Peter Baum

Ferroelectric (FE) metals have been attracting attention as they possess both metallicity and ferroelectricity, the two seemingly incompatible physical properties. An important problem for both fundamental research and potential…

Materials Science · Physics 2022-03-22 Sheng Xu , Yanni Gu , Chuanbo Zheng , Xiao Shen