相关论文: Direction-Dependent Lateral Domain Walls in Ferroe…

180{\deg} domains walls (DWs) of Head-to-Head/Tail-to-Tail (H-H/T-T) type in ferroelectric (FE) materials are of immense interest for a comprehensive understanding of the FE attributes as well as harnessing them for new applications. Our…

Domain walls (DWs) in ferroic materials, across which the order parameter abruptly changes its orientation, can host emergent properties that are absent in the bulk domains. Using a broadband ($10^6-10^{10}$ Hz) scanning impedance…

We report two series of structures representing two types of $180^\circ$ ferroelectric domain walls in $\mathrm{HfO_2}$ and $\mathrm{ZrO_2}$. We model the domain structures with different width by density functional theory calculations. The…

Domain walls in ferroelectrics exhibit a plethora of phases and functionalities not found in the bulk. The interplay of electrostatic, chemical, topological, and distortive inhomogeneities at the walls can be so complex, however, that this…

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…

Domain walls are the topological defects that mediate polarization reversal in ferroelectrics, and they may exhibit quite different geometric and electronic structures compared to the bulk. Therefore, a detailed atomic-scale understanding…

The conductance of domain wall structures consisting of either stripes or cylindrical domains in multi-axial ferroelectric-semiconductors is analyzed. The effects of the domain size, wall tilt and curvature, on charge accumulation, are…

Ferroelectric hafnium oxide (${HfO_2}$) exhibits a thickness-dependent coercive field $(E_c)$ behavior that deviates from the trends observed in perovskites and the predictions of Janovec-Kay-Dunn (JKD) theory. Experiments reveal that, in…

Unique polar properties of nanoscale hafnia-zirconia oxides (Hf$_x$Zr$_{1-x}$O$_2$) are of great interest for condensed matter physics, nanophysics and advanced applications. These properties are connected (at least partially) to the…

We show that nano-scale variations of the order parameter in strongly-correlated systems can induce local spatial regions such as domain walls that exhibit electronic properties representative of a different, but nearby, part of the phase…

The ability to switch between distinct states of polarization comprises the defining property of ferroelectrics. However, the microscopic mechanism responsible for switching is not well understood and theoretical estimates based on coherent…

Although enhanced conductivity at ferroelectric domain boundaries has been found in BiFeO$_3$ films, Pb(Zr,Ti)O$_3$ films, and hexagonal rare-earth manganite single crystals, the mechanism of the domain wall conductivity is still under…

Prediction of properties from composition is a fundamental goal of materials science and can greatly accelerate development of functional materials. It is particularly relevant for ferroelectric perovskite solid solutions where…

We study the structural and electronic properties of various hafnium sub-oxides HfzO from z = 9 to z = 0.5, by ab initio simulation using Density Functional Theory. The stability of these sub-oxides is studied against monoclinic HfO2. The…

The domain size dependence of piezoelectric properties of ferroelectrics is investigated using a continuum Ginzburg-Landau model that incorporates the long-range elastic and electrostatic interactions. Microstructures with desired domain…

Nanoscale ferroelectrics that can be integrated into microelectronic fabrication processes are highly desirable for low-power computing and non-volatile memory devices. However, scalable novel ferroelectric materials, such as hafnium oxide…

Ferroelectric domain walls (DWs) are promising structures for assembling future nano-electronic circuit elements on a larger scale, since reporting domain wall currents of up to 1 mA per single DW. One key requirement hereto is their…

This study presents a theoretical investigation of the physical mechanisms governing small signal capacitance in ferroelectrics, focusing on Hafnium Zirconium Oxide. Utilizing a time-dependent Ginzburg Landau formalism-based 2D multi-grain…

The motion of domain walls is crucial for ferroelectric switching. Conventionally, the switching dynamics is believed to be determined by the motion of one or a few low-energy domain wall types of dominant population. Here, we challenge…

Domain walls are of increasing interest in ferroelectrics because of their unique properties and potential applications in future nanoelectronics. However, the thickness of ferroelastic domain walls remains elusive due to the challenges in…