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Antiferroelectrics are promising materials for high energy density capacitors and the search for environmentally-friendly and efficient systems is actively pursued. An elegant strategy to create and design new (anti)ferroic system relies on…

Antiferroelectrics are emerging as advanced functional materials and are fertile ground for unusual electric effects. For example, they enhance the recoverable energy density in energy storage applications and give rise to large…

Antiferroelectricity is a material property characterized by alternating electric dipoles spontaneously ordered in antiparallel directions. Antiferroelectrics are promising for energy storage, solid-state cooling, and memory technologies;…

The polarization response of antiferroelectrics to electric fields is such that the materials can store large energy densities, which makes them promising candidates for energy storage applications in pulsed-power technologies. However,…

Materials Science · Physics 2022-08-05 Hugo Aramberri , Natalya S. Fedorova , Jorge Íñiguez

Bismuth ferrite is one of the most widely studied multiferroic materials because of its large ferroelectric polarisation coexisting with magnetic order at room temperature. Using density functional theory (DFT), we identify several…

Materials Science · Physics 2021-05-12 Bastien F. Grosso , Nicola A. Spaldin

Relaxor ferroelectric thin films are recognized for their ultrahigh power density, rendering them highly promising for energy storage applications in electrical and electronic systems. However, achieving high energy storage performance with…

Electrical energy storage systems (EESSs) with high energy density and power density are essential for the effective miniaturization of future electronic devices. Among different EESSs available in the market, dielectric capacitors relying…

Materials Science · Physics 2021-04-10 Vignaswaran Veerapandiyan , Federica Benes , Theresa Gindel , Marco Deluca

Dielectric capacitors are essential for energy storage systems due to their high-power density and fast operation speed. However, optimizing energy storage density with concurrent thermal stability remains a substantial challenge. Here, we…

Antiferroelectrics exhibit reversible antipolar-polar phase transitions under electric fields, yielding large electrostrain suitable for electromechanical devices. Nevertheless, in thin-film form, the antiferroelectric behavior is often…

Antiferroelectrics are antipolar materials which possess an electric field-induced phase transition to a polar, ferroelectric phase and offer significant potential for sensing/actuation and energy-storage applications. Known…

While nature provides a plethora of perovskite materials, only a few exhibits large ferroelectricity and possibly multiferroicity. The majority of perovskite materials have the non-polar CaTiO$_3$(CTO)structure, limiting the scope of their…

Materials Science · Physics 2022-05-25 Hongwei Wang , Fujie Tang , Massimiliano Stengel , Hongjun Xiang , Qi An , Tony Low , Xifan Wu

Whereas ferroelectricity may vanish in ultra-thin ferroelectric films, it is expected to emerge in ultra-thin anti-ferroelectric films, sparking people's interest in using antiferroelectric materials as an alternative to ferroelectric ones…

Bismuth ferrite, BiFeO3, is a multiferroic solid that is attracting increasing attention as a potential photocatalytic material, because the ferroelectric polarisation enhances the separation of photogenerated carriers. With the motivation…

Materials Science · Physics 2022-08-05 Shivani Grover , Keith T. Butler , Umesh V Waghmare , Ricardo Grau-Crespo

Although ferroelectric materials are characterised by their parallel arrangement of electric dipoles, in the right boundary conditions these dipoles can reorganize themselves into vortices, antivortices and other non-trivial topological…

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…

Materials Science · Physics 2014-12-08 Hong-Jian Feng

Flexoelectricity (coupling between polarization and strain gradients) is a property of all dielectric materials that has been theoretically known for decades, but it is only relatively recently that it has begun to attract experimental…

Materials Science · Physics 2018-10-17 P. Vales-Castro , Krystian Roleder , Lei Zhao , Jing-Feng Li , Dariusz Kajewski , Gustau Catalan

A possibility of use of the controlled decomposition of solid solutions of oxides with perovskite structure in the state of coexisting domains of the antiferroelectric (AFE) and ferroelectric (FE) phases for manufacturing of materials with…

Materials Science · Physics 2015-01-09 V. M. Ishchuk , V. L. Sobolev

Density functional calculations are performed to investigate the experimentally-reported field-induced phase transition in thin-film ZrO2 (J. Muller et al., Nano. Lett. 12, 4318). We find a small energy difference of ~ 1 meV/f.u. between…

Materials Science · Physics 2014-10-22 Sebastian E. Reyes-Lillo , Kevin F. Garrity , Karin M. Rabe

BiFeO3 is a model multiferroic in which the ferroelectric polarization is coupled to ferroelastic lattice distortions, yet deterministic control of its domain structure remains limited by high switching fields and competing polarization…

Piezoelectrics interconvert mechanical energy and electric charge and are widely used in actuators and sensors. The best performing materials are ferroelectrics at a morphotropic phase boundary (MPB), where several phases can intimately…

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