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The behaviour of the cross-sectional polarization field is explored for thin nanowires of barium titanate from first-principles calculations. Topological defects of different winding numbers have been obtained, beyond the known textures in…

Materials Science · Physics 2011-09-19 J. W. Hong , G. Catalan , D. N. Fang , Emilio Artacho , J. F. Scott

The combination of large spontaneous polarization and fluidity makes the newly discovered ferroelectric nematic liquid crystalline phase (NF) responsive to electric fields in ways that have no counterpart in other materials. We probe this…

Artificial metasurfaces are capable of completely manipulating the phase, amplitude, and polarization of light with high spatial resolutions. The emerging design based on high-index and low-loss dielectrics has led to the realization of…

The possibility to combine and finetune properties of functional molecular materials by chemical design is particularly relevant for organic ferroelectrics. In this work, we investigate a class of organic molecular materials that show…

Materials Science · Physics 2025-07-16 H. Mager , M. Litterst , Sophia Klubertz , S. V. Haridas , O. Shyshov , M. von Delius , M. Kemerink

The propagation front of a crack generates large strain gradients and it is therefore a strong source of gradient-induced polarization (flexoelectricity). Herein, we demonstrate that, in piezoelectric materials, a consequence of…

Materials Science · Physics 2019-04-10 Kumara Cordero-Edwards , Hoda Kianirad , Jordi Sort , Carlota Canalias , Gustau Catalan

Ferroelectrics are essential in low-dimensional memory devices for multi-bit storage and high-density integration. A polar structure is a necessary premise for ferroelectricity, mainly existing in compounds. However, it is usually rare in…

We report nearly single phase Pb(Zr0.14Ti0.56Ni0.30)O3-delta(PZTNi30) ferroelectric having large remanent polarization (15-30 {\mu}C/cm2), 0.3-0.4 V open circuit voltage (VOC), reduced band gap (direct 3.4 eV, and indirect 2.9 eV), large ON…

Materials Science · Physics 2014-03-04 Shalini Kumari , Nora Ortega , Ashok Kumar , J. F. Scott , R. S. Katiyar

Light from any physical source diffracts over space, as spherical wavefronts grow and energy density is spread out. Diffractive effects pose fundamental limits to light-based technologies, including communications, spectroscopy, and…

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.…

Materials Science · Physics 2013-08-27 Qibin Zhou , Karin M. Rabe

We propose a theoretical model of a ferroelectric metal where spontaneous electric polarization coexists with the conducting electrons. In our model we adopt a scenario when conducting electrons interact with two soft transverse optical…

Strongly Correlated Electrons · Physics 2022-09-28 Vladimir A. Zyuzin , Alexander A. Zyuzin

The polarization and strain response of ferroelectric materials at fields below the macroscopic coercive field is of a paramount importance for the operation of many electronic devices. The response of real ferroelectric and related…

Materials Science · Physics 2021-06-08 Lukas M. Riemer , Li Jin , Hana Uršič , Mojca Otonicar , Tadej Rojac , Dragan Damjanovic

We report studies of ferroelectricity in ultra-thin perovskite films with realistic electrodes. The results reveal stable ferroelectric states in thin films less than 10 \AA thick with polarization normal to the surface. Under short-circuit…

Materials Science · Physics 2007-05-23 Na Sai , Alexie M. Kolpak , Andrew M. Rappe

Advances in first-principles computational approaches have, over the past fifteen years, made possible the investigation of physical properties of ferroelectric systems. In particular, such approaches have led to a microscopic understanding…

Materials Science · Physics 2007-05-23 Igor A. Kornev , L. Bellaiche

It is of great interest to design and make materials in which ferroelectric polarisation is coupled to other order parameters such as lattice, magnetic and electronic instabilities. Such materials will be invaluable in next-generation data…

Strongly Correlated Electrons · Physics 2018-05-09 Wei-Tin Chen , Chin-Wei Wang , Hung-Cheng Wu , Fang-Cheng Chou , Hung-Duen Yang , Arkadiy Simonov , Mark S. Senn

Layered perovskites are a versatile class of ferroelectrics with their structural anisotropy reflected in unusual electrostatics that give rise to exceptional ferroelectric properties. These materials fall into four main families:…

Materials Science · Physics 2025-08-29 Elzbieta Gradauskaite

First-principles calculations are presented for the layered perovskite Ca$_3$Mn$_2$O$_7$. The results reveal a rich set of coupled structural, magnetic and polar domains in which oxygen octahedron rotations induce ferroelectricity,…

Materials Science · Physics 2010-12-21 Nicole A. Benedek , Craig J. Fennie

The behavior of ferroelectricity at the nanoscale is the focus of increasing research activity because of intense interest in the fundamental nature of spontaneous order in condensed-matter systems and because of the many practical…

We show that the electric polarization at the interface with ultrathin superconducting (S) films sandwiched between ferroelectric (FE) layers allows achievement of substantially stronger modulation of inner carrier density and…

Superconductivity · Physics 2007-05-23 Natalia Pavlenko

The wealth of complex polar topologies recently found in nanoscale ferroelectrics result from a delicate balance between the materials intrinsic tendency to develop a homogeneous polarization and the electric and mechanic boundary…

Enhancing the performance of nanoscale ferroelectric (FE) field-effect transistors and FE capacitors for memory devices and logic relies on miniaturizing the metal electrode/ferroelectric area and reducing the thickness of the insulator.…

Materials Science · Physics 2017-07-24 Danilo Puggioni , Gianluca Giovannetti , James M. Rondinelli
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