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Related papers: Polarization Saturation in Strained Ferroelectrics

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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…

The magnetization-density distribution in the metallic ferromagnet SrRuO$_3$ was studied by means of polarized neutron diffraction. The analyzes by multipole refinements and by the maximum entropy method consistently reveal a strong…

Strongly Correlated Electrons · Physics 2019-08-14 S. Kunkemöller , K. Jenni , D. Gorkov , A. Stunault , S. Streltsov , M. Braden

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

The interplay between the electron transport in metal/ferroelectric/metal junctions with ultrathin ferroelectric barriers and the polarization state of a barrier is investigated. Using a model which takes into account screening of…

Other Condensed Matter · Physics 2009-11-11 M. Ye. Zhuravlev , R. F. Sabirianov , S. S. Jaswal , E. Y. Tsymbal

We investigate the origin of the depolarization rates in ultrathin adsorbate-stabilized ferroelectric wires. By applying density functional theory calculations and analytic modeling, we demonstrate that the depolarization results from the…

Materials Science · Physics 2015-02-16 Y. Qi , J. M. P. Martirez , Wissam A. Saidi , J. J. Urban , W. S. Yun , J. E. Spanier , A. M. Rappe

Rearrangement of atoms due to broken translational symmetries at the surface of SrTiO$_3$ is scarcely debatable in the present day scenario. Actual concern demands to unveil the true structure and precise mechanism responsible for atomic…

Materials Science · Physics 2018-11-08 Adeel Y Abid , Ning Li , Ayaz Arif , Peng Gao

The existence of ferroelectricity in {$\mathrm{BiMnO}_3$} has been a long-standing question for both experimentalists and theorists. In addition to a highly distorted bulk structure, the ionic crystal planes cause a large roughness in thin…

Materials Science · Physics 2017-04-11 Yun-Peng Wang , J. N. Fry , Hai-Ping Cheng

Using a first-principles approach based on density-functional theory, we find that a large tetragonal strain can be induced in PbTiO3 by application of a negative hydrostatic pressure. The structural parameters and the dielectric and…

Materials Science · Physics 2009-11-10 Silvia Tinte , Karin M. Rabe , David Vanderbilt

To enhance the efficiency of next-generation ferroelectric (FE) electronic devices, new techniques for controlling ferroelectric polarization switching are required. While most prior studies have attempted to induce polarization switching…

Materials Science · Physics 2019-06-11 Chao Lian , Zulfikhar A. Ali , Hyuna Kwon , Bryan M. Wong

The electron-electron scattering increases the resistance of ballistic many-mode channels whose width is smaller than their length. We show that this increase saturates in the limit of infinitely long channels. Because the mechanisms of…

Mesoscale and Nanoscale Physics · Physics 2018-04-12 K. E. Nagaev

We demonstrate with first-principles electron transport calculations that large tunneling magnetoresistance (TMR) and tunneling electroresistance (TER) effects can coexist in an all-oxide device. The TMR originates from the symmetry-driven…

Materials Science · Physics 2015-06-04 Nuala Mai Caffrey , Thomas Archer , Ivan Rungger , Stefano Sanvito

Weakly coupled ferroelectric/dielectric superlattice thin film heterostructures exhibit complex nanoscale polarization configurations that arise from a balance of competing electrostatic, elastic, and domain-wall contributions to the free…

The response of an infinite, periodic, insulating, solid to an infinitesimally small electric field is investigated in the framework of Density Functional Theory. We find that the applied perturbing potential is not a unique functional of…

mtrl-th · Physics 2016-09-07 X. Gonze , Ph. Ghosez , R. W. Godby , .

The observation of unexpected polarisation textures such as vortices, skyrmions and merons in various oxide heterostructures has challenged the widely accepted picture of ferroelectric domain walls as being Ising-like. Bloch components in…

Modern polarization theory yields surface bound charge associated with spontaneous polarization of bulk. However, understanding polarization in nano systems also requires a proper treatment of charge transfer between surface dangling bonds.…

Materials Science · Physics 2021-09-01 Ke Yang , Zeyu Jiang , Duk-Hyun Choe , Damien West , Shengbai Zhang

First-principles density functional theory calculations have been performed to understand the electronic structure and orbital polarization of LaNiO$_3$ with a reduced coordination and under strain. From the slab calculation to simulate…

Materials Science · Physics 2011-10-03 Myung Joon Han , Michel van Veenendaal

Despite the technological significance of the tetragonal PbTiO3 for the piezoelectric transducer industry, its high pressure behaviour is quite controversial as two entirely different scenarios, involving pressure induced (1) morphotropic…

Ferroelastic twin walls in nonpolar materials can give rise to a spontaneous polarization due to symmetry breaking. Nevertheless, the bi-stable polarity of twin walls and its reversal have not yet been demonstrated. Here, we report that the…

Materials Science · Physics 2023-10-17 Ri He , Haowei Xu , Peijun Yang , Kai Chang , Hua Wang , Zhicheng Zhong

The polar behavior of double perovskite (Bi,Pb)ZnNbO$_6$ and (Bi,Sr)ZnNbO$_6$ was investigated using first principles density functional calculations within the local density approximation. These materials have both $A$-site size disorder…

Materials Science · Physics 2010-11-24 S. Takagi , A. Subedi , D. J. Singh , V. R. Cooper

Composites of ferroelectric and paraelectric perovskites have attracted a lot of attention due to their application potential in energy storage as well as novel computing and memory devices. So far the main focus of research has been on…

Materials Science · Physics 2025-07-23 Sheng-Han Teng , Chinwendu Anabaraonye , Anna Grünebohm