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Recent experimental results demonstrate that in thin films ferroelectricity persists down to film thickness of a few unit cells. This finding opens an avenue for novel electronic devices based on ultathin ferroelectrics, but also raises…

Materials Science · Physics 2015-06-25 Chun-Gang Duan , Renat F. Sabirianov , Wai-Ning Mei , Sitaram S. Jaswal , Evgeny Y. Tsymbal

We explore the interplay between ferroelectricity and metallicity, which are generally considered to be contra-indicated properties, in the prototypical ferroelectric barium titanate, BaTiO$_3$. Using first-principles density functional…

Materials Science · Physics 2025-07-22 Veronica F. Michel , Tobias Esswein , Nicola A. Spaldin

Recent advances in ferroelectrics highlight the role of three-dimensional (3D) polar entities in forming topological polar textures and generating giant electromechanical responses, during polarization rotation. However, current electron…

Materials Science · Physics 2025-06-10 Jinho Byun , Keeyong Lee , Myoungho Jeong , Eunha Lee , Jeongil Bang , Haeryong Kim , Geun Ho Gu , Sang Ho Oh

Strain engineering of perovskite oxide thin films has proven to be an extremely powerful method for enhancing and inducing ferroelectric behavior. In ferroelectric thin films and superlattices, the polarization is intricately linked to…

Surface and ferroelectric properties of PbTiO$_3$ thin films are investigated using an interatomic potential approach with parameters computed from first-principles calculations. We show that a model developed for the bulk describes…

Materials Science · Physics 2009-11-11 M. Sepliarsky , M. G. Stachiotti , R. L. Migoni

The growing demand for high energy storage materials has garnered substantial attention towards lead-free ferroelectric nanocrystals (NCs), such as BaTiO3 (BTO), for next-generation multilayer ceramic capacitors. Notably, it remains…

Materials Science · Physics 2025-07-08 Qiong Li , Elshad Allahyarov , Tianxiong Ju , Zhiqun Lin , Lei Zhu

The theoretical and experimental investigation of ferroelectric nanopowders is performed. The manifestation in radiospectroscopy spectra of size driven ferroelectric-paraelectric phase transition at some critical particle average size was…

The instability of ferroelectric ordering in ultra-thin films is one of the most important fundamental issues pertaining realization of a number of electronic devices with enhanced functionality, such as ferroelectric and multiferroic…

Ferroelectric thin films under epitaxial strain exhibit a variety of vortex-like topological polarization textures. To analyze them, we build on the Ginzburg-Landau-Devonshire framework and extend the previously introduced soft-domain…

Materials Science · Physics 2025-09-09 Léo Boron , Anaïs Sené , Yuri Tikhonov , Anna Razumnaya , Igor Lukyanchuk , Svitlana Kondovych

An atomistic approach is used to investigate finite-temperature properties of ferroelectric nanodots that are embedded in a polarizable medium. Different phases are predicted, depending on the ferroelectric strengths of the material…

Materials Science · Physics 2009-11-11 S. Prosandeev , L. Bellaiche

Ferroelectric membranes transferred onto arbitrary substrates provide reduced mechanical clamping at the interfaces that can diminish the effective polarization-rotation barrier offering a pathway to engineer larger electromechanical and…

Properties of (BaTiO$_3$)$_1$/(BaZrO$_3$)$_n$ ferroelectric superlattices (SLs) with $n = {}$1--7 grown in the [001] direction are calculated from first principles within the density functional theory. It is revealed that the…

Materials Science · Physics 2013-06-20 Alexander I. Lebedev

First-principles density functional calculations are performed to investigate the interplay between inplane strains and interface effects in 1by1 PbTiO3/SrTiO3 and BaTiO3/SrTiO3 superlattices of tetragonal symmetry. One particular emphasis…

Materials Science · Physics 2010-04-19 Yanpeng Yao , Huaxiang Fu

The structural, dielectric and ferroelectric properties of lead-free (Na0.5-xKxBi0.5-xLax)TiO3 powders synthesized by sol-gel self-combustion method were investigated. Rietveld refinement of Synchrotron x-ray diffraction data confirms pure…

Thin ferroelectric BaTiO$_3$ films often exhibit continuous transitions instead of the first-order behavior of bulk crystals, a discrepancy usually attributed to epitaxial strain or dimensionality. Using quasi-adiabatic nanocalorimetry on…

Spontaneous polarization is essential for ferroelectric functionality in non-centrosymmetric crystals. High-integration-density ferroelectric devices require the stabilization of ferroelectric polarization in small volumes. Here,…

Functional devices with ultrathin ferroelectric layers have been attracted as a promising candidate for next-generation memory and logic device applications. Using the ultrathin ferroelectric layers, particularly approaching the…

Surfaces and interfaces of ferroelectric oxides exhibit enhanced functionality, and therefore serve as a platform for novel nano and quantum technologies. Experimental and theoretical challenges associated with examining the subtle…

Materials Science · Physics 2019-04-01 Maya Barzilay , Tian Qiu , Andrew M. Rappe , Yachin Ivry

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

Metals exhibit a size-dependent hardening when subject to indentation. Mechanisms for this phenomenon have been intensely researched in recent times. Does such a size-effect also exist in the electromechanical behavior of…

Materials Science · Physics 2015-05-13 M. Gharbi , Z. H. Sun , P. Sharma , K. White
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