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Layers of perovskites, found in 3D materials, 2D heterostructures, and nanotubes, often distort from high symmetry to facilitate dipole polarisation that is exploitable in many applications. Using density-functional theory calculations,…

材料科学 · 物理学 2025-11-14 Shaowen Xu , Jeffrey R. Reimers , Fanhao Jia , Wei Ren

Oxide heterointerfaces constitute a rich platform for realizing novel functionalities in condensed matter. A key aspect is the strong link between structural and electronic properties, which can be modified by interfacing materials with…

Using the model system of ferroelectric domain walls, we explore the effects of long-range dipolar interactions and periodic ordering on the behavior of pinned elastic interfaces. In piezoresponse force microscopy studies of the…

无序系统与神经网络 · 物理学 2014-02-18 B. Ziegler , K. Martens , T. Giamarchi , P. Paruch

We present a spatial and wave-vector resolved study of the electronic structure of micron sized ferroelectric domains at the surface of a BaTiO3(001) single crystal. The n-type doping of the BaTiO3 is controlled by in-situ vacuum and oxygen…

材料科学 · 物理学 2018-06-12 J. E. Rault , J. Dionot , C. Mathieu , V. Feyer , C. M. Schneider , G. Geneste , N. Barrett

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…

Epitaxial strain plays an important role in determining physical properties of perovskite ferroelectric oxide thin films. However, it is very challenging to directly measure properties such as polarization in ultrathin strained films using…

We exploit the ability to precisely control the magnetic domain structure of perpendicularly magnetized Pt/Co/Pt trilayers to fabricate artificial domain wall arrays and study their transport properties. The scaling behaviour of this model…

材料科学 · 物理学 2009-11-11 A. Aziz , S. J. Bending , H. G. Roberts , S. Crampin , P. J. Heard , C. H. Marrows

We present a first-principles density functional study of the structural, electronic and magnetic properties of the ferroelectric domain walls in multiferroic BiFeO3. We find that domain walls in which the rotations of the oxygen octahedra…

材料科学 · 物理学 2021-04-06 A. Lubk , S. Gemming , N. A. Spaldin

Phase-field simulation (PFS) have revolutionized the understanding of domain structure and switching behavior in ferroelectric thin films and ceramics. Generally, PFS is based on solution of a (set) of Ginzburg-Landau equations for a…

材料科学 · 物理学 2017-01-04 Ye Cao , Sergei V. Kalinin

We introduce an open-source, fully atomistic second-principles interatomic potential for lead titanate (PbTiO3), a benchmark ferroelectric material known for its strong polarization and hightemperature phase transitions. While density…

材料科学 · 物理学 2025-10-10 Louis Bastogne , Philippe Ghosez

We resolve the microscopic mechanism of polarization switching in wurtzite ferroelectric AlScN by integrating advanced thin-film fabrication, ferroelectric switching dynamics characterizations, high-resolution scanning transmission electron…

材料科学 · 物理学 2025-08-26 Jiawei Huang , Jinyang Li , Xinyue Guo , Tongqi Wen , David J. Srolovitz , Zhen Chen , Zuhuang Chen , Shi Liu

The metastability of the polar phase in HfO2, despite its excellent compatibility with the complementary metal-oxide-semiconductor process, remains a key obstacle for its industrial applications. Traditional stabilization approaches, such…

Hf0.5Zr0.5O2 (HZO) is a promising candidate for next generation ferroelectric memories and transistors. However, its ferroelectricity origin is still under debate due to the complex of its phase and microstructure in practical samples. In…

A fundamental understanding of the interplay between lattice structure, polarization and electrons is pivotal to the optical control of ferroelectrics. The interaction between light and matter enables the remote and wireless control of the…

We investigate theoretically the polarization switching kinetics in ferroelectric thin films. In such substances, the domain walls are pinned by (usually dipole) defects, which are present also in ordered samples as technologically…

材料科学 · 物理学 2010-08-03 E. V. Kirichenko , V. A. Stephanovich

Wurtzite-ZnO is a wide-bandgap polar material with a ferroelectric-switching barrier that is too high to utilize, but the barrier can be reduced and switching observed in substituted materials such as Zn0.5Mg0.5O. Here, we seek to…

材料科学 · 物理学 2026-01-22 Lingyao Zhang , Musen Li , Nisha Metha , Carla Verdi , Wei Ren , Jeffrey R. Reimers

Ferroelectrics are widely used for a broad array of technological applications due to their attractive electrical and electromechanical properties. In order to obtain large functional properties, material compositions are often designed to…

材料科学 · 物理学 2025-01-31 Abhijit Pramanick , Laurent Daniel

Integrating epitaxial BaTiO$_3$ (BTO) with Si is essential for leveraging its ferroelectric, piezoelectric, and nonlinear optical properties in microelectronics. Recently, heterogeneous integration approaches that involve growth of BTO on…

Aurivillius ferroelectric $Bi_2WO_6$ (BWO) encompasses a broad range of functionalities, including robust fatigue-free ferroelectricity, high photocatalytic activity, and ionic conductivity. Despite these promising characteristics, an…

材料科学 · 物理学 2021-01-28 Jihwan Jeong , Junsik Mun , Saikat Das , Jinkwon Kim , Jeong Rae Kim , Wei Peng , Miyoung Kim , Tae Won Noh

Under a sufficiently high applied electric field, a non-polar antiferroelectric material, such as \ce{PbZrO3}, can undergo a rapid transformation to a polar ferroelectric phase. While this behavior is promising for energy storage and…

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