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We present a first-principles study of 180-degree ferroelectric domain walls in tetragonal barium titanate. The theory is based on an effective Hamiltonian that has previously been determined from first-principles ultrasoft-pseudopotential…

mtrl-th · 物理学 2009-10-28 J. Padilla , W. Zhong , David Vanderbilt

Recent works have shown that the domain walls of room-temperature multiferroic BiFeO3 (BFO) thin films can display distinct and promising functionalities. It is thus important to understand the mechanisms underlying domain formation in…

材料科学 · 物理学 2015-05-14 C. J. M. Daumont , S. Farokhipoor , A. Ferri , J. C. Wojdel , Jorge Iniguez , B. J. Kooi , B. Noheda

Low dimensional structures comprised of ferroelectric (FE) PbTiO$_3$ (PTO) and quantum paraelectric SrTiO$_3$ (STO) are hosts to complex polarization textures such as polar waves, flux-closure domains and polar skyrmion phases. Density…

材料科学 · 物理学 2022-02-16 Jack S. Baker , David R. Bowler

We investigated the time-dependent polarization switching behaviors of (111)-preferred polycrystalline Pb(ZrxTi1-x)O3 thin films with various Zr concentrations. We could explain all the polarization switching behaviors well by assuming…

Relaxor ferroelectric perovskites are highly polarizable and can exhibit giant coupling between elastic strain and an applied electric field. Here, we report an in situ extended X-ray absorption fine structure (EXAFS) study of a…

Combining multiple degrees of freedom in strongly-correlated materials such as transition-metal oxides would lead to fascinating magnetic and magnetocaloric features. Herein, the strain effects are used to markedly tailor the magnetic and…

The static configuration of ferroelectric domain walls was investigated using atomic force microscopy on epitaxial PbZr0.2Ti0.8O3 thin films. Measurements of domain wall roughness reveal a power law growth of the correlation function of…

无序系统与神经网络 · 物理学 2013-11-07 P. Paruch , T. Giamarchi , J. -M. Triscone

Though the electrical responses of the various polymorphs found in ferroelectric polycrystalline thin film HfO$_2$ are now well characterized, little is currently understood of this novel material's grain sub-structure. In particular, the…

材料科学 · 物理学 2017-09-26 Everett D. Grimley , Tony Schenk , Thomas Mikolajick , Uwe Schroeder , James M. LeBeau

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…

材料科学 · 物理学 2025-12-18 I. Rychetsky , A. Klic , W. Schranz

Finite size effects in ferroelectric thin films have been probed in a series of epitaxial perovskite c-axis oriented PbTiO3 films grown on thin La0.67Sr0.33MnO3 epitaxial electrodes. The film thickness ranges from 480 down to 28 A (7 unit…

The strain dependence of electric and magnetic properties has been widely investigated, both from a fundamental science perspective and an applications point of view. Electromechanical coupling through field-induced polarization rotation…

材料科学 · 物理学 2015-06-22 Zhiguang Wang , Yaojin Wang , Haosu Luo , Jiefang Li , D. Viehland

The structural evolution of a polydomain ferroelectric Pb(Zr0.2Ti0.8)O3 film was studied by temperature dependent X-ray diffraction. Two critical temperatures were evidenced: T*=740K, corresponding to a change in the domain structure…

Modulating the polarization of a beam of quantum particles is a powerful method to tailor the macroscopic properties of the ensuing energy flux as it directly influences the way in which its quantum constituents interact with other…

材料科学 · 物理学 2017-10-03 Miquel Royo , Carlos Escorihuela-Sayalero , Jorge Íñiguez , Riccardo Rurali

While electrical compatibility constraints normally prevent head-to-head (HH) and tail-to-tail (TT) domain walls from forming in ferroelectric materials, we propose that such domain walls could be stabilized by intentional growth of atomic…

材料科学 · 物理学 2009-12-17 Xifan Wu , David Vanderbilt

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…

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…

The effect of layer-by-layer heterostructuring and epitaxial strain on lattice instabilities and related ferroelectric properties is investigated from first principles for the [001]-(PbTiO$_3$)$_1$(PbZrO$_3$)$_1$ superlattice and pure…

材料科学 · 物理学 2009-11-10 Claudia Bungaro , K. M. Rabe

We present a comparison of the characteristics of the magnetic domain walls in an atomic monolayer of Co on Pt(111) and a Ni/Fe atomic bilayer on Ir(111), based on spin-polarized scanning tunneling microscopy measurements. In both cases,…

介观与纳米尺度物理 · 物理学 2018-12-05 Aurore Finco , Marco Perini , André Kubetzka , Kirsten von Bergmann , Roland Wiesendanger

Ferroelastic materials (materials with switchable spontaneous strain) often are centrosymmetric, but their domain walls are always polar, as their internal strain gradients cause polarization via flexoelectricity. This polarization is…

材料科学 · 物理学 2025-03-11 Guangming Lu , Gustau Catalan , Ekhard K. H. Salje

We report a more than 10-fold enhancement of the piezoelectric coefficient $d_{33}$ of polycrystalline CH$_3$NH$_3$PbI$_3$ (MAPbI$_3$) films when interfacing them with ferroelectric PbZr$_{0.2}$Ti$_{0.8}$O$_3$ (PZT). Piezo-response force…

材料科学 · 物理学 2018-06-12 Jingfeng Song , Zhiyong Xiao , Bo Chen , Spencer Prockish , Xuegang Chen , Jinsong Huang , Xia Hong