Polar Alignment Research Articles

Ambient Moisture-Induced Self Alignment of Polarization in Ferroelectric Hafnia.

The discovery of nanoscale ferroelectricity in hafnia (HfO2) has paved the way for next generation high-density, non-volatile devices. Although the surface conditions of nanoscale HfO2 present one of the fundamental mechanism origins, the impact of external environment on HfO2 ferroelectricity remains unknown. In this study, the deleterious effect of ambient moisture is examined on the stability of ferroelectricity using Hf0.5Zr0.5O2 (HZO) films as a model system. It is found that the development of an intrinsic electric field due to the adsorption of atmospheric water molecules onto the film's surface significantly impairs the properties of domain retention and polarization stability. Nonetheless, vacuum heating efficiently counteracts the adverse effects of water adsorption, which restores the symmetric electrical characteristics and polarization stability. This work furnishes a novel perspective on previous extensive studies, demonstrating significant impact of surface water on HfO2-based ferroelectrics, and establishes the design paradigm for the future evolution of HfO2-based multifunctional electronic devices.

Oxygen vacancy induced defect dipoles in BiVO4 for photoelectrocatalytic partial oxidation of methane

A strong driving force for charge separation and transfer in semiconductors is essential for designing effective photoelectrodes for solar energy conversion. While defect engineering and polarization alignment can enhance this process, their potential interference within a photoelectrode remains unclear. Here we show that oxygen vacancies in bismuth vanadate (BiVO4) can create defect dipoles due to a disruption of symmetry. The modified photoelectrodes exhibit a strong correlation between charge separation and transfer capability and external electrical poling, which is not seen in unmodified samples. Applying poling at −150 Volt boosts charge separation and transfer efficiency to over 90%. A photocurrent density of 6.3 mA cm−2 is achieved on the photoelectrode after loading with a nickel-iron oxide-based cocatalyst. Furthermore, using generated holes for methane partial oxidation can produce methanol with a Faradaic efficiency of approximately 6%. These findings provide valuable insights into the photoelectrocatalytic conversion of greenhouse gases into valuable chemical products.

Polar alignment of a dusty circumbinary disc–II. Application to 99 Herculis

ABSTRACT We investigate the formation of dust traffic jams in polar-aligning circumbinary discs. In our first paper, we found as the circumbinary disc evolves towards a polar configuration perpendicular to the binary orbital plane, the differential precession between the gas and dust components leads to multiple dust traffic jams. These dust traffic jams evolve to form a coherent dust ring. In part two, we use 3D smoothed particle hydrodynamical simulations of gas and dust to model an initially highly misaligned circumbinary disc around the 99 Herculis (99 Her) binary system. Our results reveal that the formation of these dust rings is observed across various disc parameters, including the disc aspect ratio, viscosity, surface density power-law index, and temperature power-law index. The dust traffic jams are long-lived and persist even when the disc is fully aligned polar. The midplane dust-to-gas ratio within the rings can surpass unity, which may be a favourable environment for planetesimal formation. Using 2D inviscid shearing box calculations with parameters from our 3D simulations, we find streaming instability modes with significant growth rates. The streaming instability growth time-scale is less than the tilt oscillation time-scale during the alignment process. Therefore, the dust ring will survive once the gas disc aligns polar, suggesting that the streaming instability may aid in forming polar planets around 99 Her.

Enhanced energy storage performance in NBT-based MLCCs via cooperative optimization of polarization and grain alignment

Dielectric ceramics possess a unique competitive advantage in electronic systems due to their high-power density and excellent reliability. Na1/2Bi1/2TiO3-based ceramics, one type of extensively studied energy storage dielectric, however, often experience A-site element volatilization and Ti4+ reduction during high-temperature sintering. These issues may result in increased energy loss, reduced polarization and low dielectric breakdown electric field, ultimately making it challenging to achieve both high energy storage density and efficiency. To address these issues, we introduce a synergistic optimization strategy that combine polarization engineering and grain alignment engineering. First principles calculations and experimental analyses show that the doping of Mn2+ can suppress the reduction of Ti4+ in Na1/2Bi1/2TiO3-based ceramics and enhance ion off-centering displacements, thereby reducing energy loss and improving polarization. In addition, we prepared multilayer ceramic capacitors with grains oriented along the <111> direction using the template grain growth method. This approach effectively reduces electric-field-induced strain by 37% and markedly enhances breakdown electric field by 42% when compared with nontextured counterpart. As a result of this comprehensive strategy, <111 >-textured Na1/2Bi1/2TiO3-based multilayer ceramic capacitors achieve an ultra-high energy density of 15.7 J·cm−3 and an excellent efficiency beyond 95% at 850 kV·cm−1, exhibiting a superior overall energy storage performance.

Protrusion force and cell-cell adhesion play a critical role in collective tumor cluster migration.

While collective migration is shown to enhance invasive and metastatic potential in cancer, the mechanisms driving this behavior and regulating tumor migration plasticity remain poorly understood. This study provides a mechanistic framework explaining the emergence of different modes of collective migration under hypoxia-induced secretome. We focus on the interplay between cellular protrusion force and cell-cell adhesion using collectively migrating three-dimensional microtumors as models with well-defined microenvironment. Large microtumors show directional migration due to intrinsic hypoxia, while small microtumors exhibit radial migration in response to hypoxic secretome. Here, we developed the minimal multi-scale microtumor model (MSMM) to elucidate underlying mechanisms. We identified distinct migration modes within specific regions of protrusion force and cell-cell adhesion parameter space. We show that sufficient cellular protrusion force is crucial for both, radial and directional collective microtumor migration. Radial migration emerges when sufficient cellular protrusion force is generated, driving neighboring cells to move collectively in diverse directions. Within migrating tumors, strong cell-cell adhesion enhances the alignment of cell polarity, breaking the symmetric angular distribution of protrusion forces, and leading to directional microtumor migration. The integrated results from the experimental and computational models provide fundamental insights into collective migration in response to different microenvironment stimuli.

Proliferation symmetry breaking in growing tissues.

Morphogenesis of developing tissues results from anisotropic growth, typically driven by polarized patterns of gene expression. Here we propose an alternative model of anisotropic growth driven by self-organized feedback between cell polarity, mechanical pressure, and cell division rates. Specifically, cell polarity alignment can induce spontaneous symmetry breaking in proliferation, resulting from the anisotropic distribution of mechanical pressure in the tissue. We show that proliferation anisotropy can be controlled by cellular elasticity, motility and contact inhibition, thereby elucidating the design principles for anisotropic morphogenesis.

Manipulating Ferroelectric Polarization and Spin Polarization of 2D CuInP2S6 Crystals for Photocatalytic CO2 Reduction.

Manipulating electronic polarizations such as ferroelectric or spin polarizations has recently emerged as an effective strategy for enhancing the efficiency of photocatalytic reactions. This study demonstrates the control of electronic polarizations modulated by ferroelectric and magnetic approaches within a two-dimensional (2D) layered crystal of copper indium thiophosphate (CuInP2S6) to boost the photocatalytic reduction of CO2. We investigate the substantial influence of ferroelectric polarization on the photocatalytic CO2 reduction efficiency, utilizing the ferroelectric-paraelectric phase transition and polarization alignment through electrical poling. Additionally, we explore enhancing the CO2 reduction efficiency by harnessing spin electrons through the synergistic introduction of sulfur vacancies and applying a magnetic field. Several advanced characterization techniques, including piezoresponse force microscopy, ultrafast pump-probe spectroscopy, in situ X-ray absorption spectroscopy, and in situ diffuse reflectance infrared Fourier transformed spectroscopy, are performed to unveil the underlying mechanism of the enhanced photocatalytic CO2 reduction. These findings pave the way for manipulating electronic polarizations regulated through ferroelectric or magnetic modulations in 2D layered materials to advance the efficiency of photocatalytic CO2 reduction.

Polar alignment of a dusty circumbinary disc – I. Dust ring formation

ABSTRACT We investigate the formation of dust traffic jams in polar-aligning circumbinary discs. We use 3D smoothed particle hydrodynamical simulations of both gas and dust to model an initially highly misaligned circumbinary disc around an eccentric binary. As the circumbinary disc evolves to a polar configuration (perpendicular to the binary orbital plane), the difference in the precession between the gas and dust produces dust traffic jams, which become dense dust rings. We find the formation of dust rings exists for different Stokes number, binary eccentricity, and initial disc tilt. Dust rings are only produced while the circumbinary disc is misaligned to the binary orbital plane. When the disc becomes polar aligned, the dust rings are still present and long-lived. Once these dust rings are formed, they drift inward. The drift time-scale depends on the Stokes number. The lower the Stokes number, the faster the dust ring drifts near the inner edge of the disc. The dust rings will have an increased mid-plane dust-to-go ratio, which may be a favourable environment for the steaming instability to operate.

On the origin of polar planets around single stars

ABSTRACT The Rossiter–McLaughlin effect measures the misalignment between a planet’s orbital plane and its host star’s rotation plane. Around 10 per cent of planets exhibit misalignments in the approximate range 80°–125°, with their origin remaining a mystery. On the other hand, large misalignments may be common in eccentric circumbinary systems due to misaligned discs undergoing polar alignment. If the binary subsequently merges, a polar circumbinary disc – along with any planets that form within it – may remain inclined near 90$^{\circ }$ to the merged star’s rotation. To test this hypothesis, we present N-body simulations of the evolution of a polar circumbinary debris disc comprised of test particles around an eccentric binary during a binary merger that is induced by tidal dissipation. After the merger, the disc particles remain on near-polar orbits. Interaction of the binary with the polar-aligned gas disc may be required to bring the binary to the small separations that trigger the merger by tides. Our findings imply that planets forming in discs that are polar-aligned to the orbit of a high-eccentricity binary may, following the merger of the binary, provide a possible origin for the population of near-polar planets around single stars.

Biomimetic pulp scaffolds prepared from extracellular matrix derived from stem cells from human exfoliated deciduous teeth promote pulp-dentine complex regeneration.

To evaluate the role of biomimetic pulp scaffolds derived from the extracellular matrix derived of stem cells from human exfoliated deciduous teeth (SHED-ECM-PS) in promoting pulp-dentine complex regeneration. SHED-ECM-PS was prepared through cell aggregation and decellularization techniques. Histological and immunofluorescence analyses, scanning electron microscopy, and DNA quantification assays were used to characterize the SHED-ECM-PS. Additionally, a tooth slice implantation model was established to evaluate the effects of SHED-ECM-PS on regeneration of the pulp-dentine complex invivo. Extraction medium for SHED-ECM-PS was prepared, and its effect on bone marrow mesenchymal stem cells (BMMSCs) was assessed invitro. Cell counting kit-8 and Ki-67 staining assays were performed to determine cell proliferation. The rate of apoptosis was evaluated by flow cytometry. Wound healing and transwell assays were conducted to evaluate cell migration. Alizarin red S staining was performed to examine mineralized nodule formation. Western blotting was used to detect the expression of osteogenic and odontogenic markers. The results were analysed using an independent two-tailed Student's t-test. p < .05 was considered statistically significant. SHED-ECM-PS was successfully constructed, exhibiting a striped dental pulp-like shape devoid of nuclear structures or DNA components, and rich in fibronectin, collagen I, DMP1 and DSPP. Notably, SHED-ECM-PS showed no impact on the proliferation or apoptosis of BMMSCs. Histological analysis revealed that dental pulp fibroblasts formed an interwoven mesh in the root canal, and angiogenesis was observed in the SHED-ECM-PS group. Moreover, a continuous, newly formed tubular dentine layer with polarized odontoblast-like cells was observed along the inner wall of the root canal. SHED-ECM-PS promoted the migration, polar alignment and mineralized nodule formation of BMMSCs and specifically elevated the expression levels of odontogenic markers, but not osteogenic markers, compared with the control group invitro. SHED-ECM-PS exhibited no cytotoxicity and promoted pulp-dentine complex regeneration invivo as well as cell migration and odontogenic differentiation of BMMSCs invitro. These findings provide evidence that SHED-ECM-PS, as a novel biological scaffold, has the potential to improve the outcomes of REPs.

Pattern selection and the route to turbulence in incompressible polar active fluids

Active fluids, such as suspensions of microswimmers, are well known to self-organize into complex spatio-temporal flow patterns. An intriguing example is mesoscale turbulence, a state of dynamic vortex structures exhibiting a characteristic length scale. Here, we employ a minimal model for the effective microswimmer velocity field to explore how the turbulent state develops from regular, stationary vortex patterns when the strength of activity resp. related parameters such as nonlinear advection or polar alignment strength—is increased. First, we demonstrate analytically that the system, without any spatial constraints, develops a stationary square vortex lattice in the absence of nonlinear advection. Subsequently, we perform an extended stability analysis of this nonuniform ‘ground state’ and uncover a linear instability, which follows from the mutual excitement and simultaneous growth of multiple perturbative modes. This extended analysis is based on linearization around an approximation of the analytical vortex lattice solution and allows us to calculate a critical advection or alignment strength, above which the square vortex lattice becomes unstable. Above these critical values, the vortex lattice develops into mesoscale turbulence in numerical simulations. Utilizing the numerical approach, we uncover an extended region of hysteresis where both patterns are possible depending on the initial condition. Here, we find that turbulence persists below the instability of the vortex lattice. We further determine the stability of square vortex patterns as a function of their wavenumber and represent the results analogous to the well-known Busse balloons known from classical pattern-forming systems such as Rayleigh–Bénard convection experiments and corresponding models such as the Swift–Hohenberg equation. Here, the region of stable periodic patterns shrinks and eventually disappears with increasing activity parameters. Our results show that the strength of activity plays a similar role for active turbulence as the Reynolds number does in driven flow exhibiting inertial turbulence.

Modeling of polarization reversal-induced interface sheet charge in wurtzite-type AlScN/GaN heterostructures

In this work, the value and the polarity of the spontaneous and piezoelectric polarization have been investigated, as the use of two different reference structures for wurtzite-type group-III nitrides, namely, the zinc-blende and the layered-hexagonal crystal lattice, have resulted in different predictions. It was found that although the differences in value and polarity of the polarization for heterostructures such as wurtzite Al1−xScxN/GaN lead to similar interface sheet charges, a significant mismatch is observed when polarization reversal is considered. The interface sheet charge predicted before and after the polarization reversal in the wurtzite Al1−xScxN layer on GaN using the zinc-blende lattice as a reference predominantly shows a change in sign. When using the layered-hexagonal lattice as a reference, not only is the same polarity of the interface sheet charge maintained after polarization reversal, but it is even 30 times larger. In this case, the giant and positive spontaneous polarization values for metal-polar Al1−xScxN extracted from the ferroelectric switching, as well as the alignment of the piezoelectric polarization to it, were observed to be consistent with the predictions referenced to the layered-hexagonal lattice. Thus, it is concluded that the layered-hexagonal reference is not only more suitable for predicting the ferroelectric properties of wurtzite Al1−xScxN but should also be the correct reference when considering polarization reversal in heterostructures. If the significant increase in the interface sheet charge after polarization reversal is experimentally detected, it will allow the design and fabrication of novel devices for future high-frequency and power electronics applications.

Front Cover: Perfect Polar Alignment of Parallel Beloamphiphile Layers: Improved Structural Design Bias Realized in Ferroelectric Crystals of the Novel “Methoxyphenyl Series of Acetophenone Azines” (Chem. Eur. J. 26/2024)

Front Cover: Perfect Polar Alignment of Parallel Beloamphiphile Layers: Improved Structural Design Bias Realized in Ferroelectric Crystals of the Novel “Methoxyphenyl Series of Acetophenone Azines” (Chem. Eur. J. 26/2024)

Perfect Polar Alignment of Parallel Beloamphiphile Layers: Improved Structural Design Bias Realized in Ferroelectric Crystals of the Novel "Methoxyphenyl Series of Acetophenone Azines".

Invited for the cover of this issue are Harmeet Bhoday, Nathan Knotts, and Rainer Glaser at the Missouri University of Science and Technology. Joe Miner, the university mascot, is a silent and honorary co-author and personifies the spirit of the old west and the determination to succeed (our emphasis). The image depicts one (MeO-Ph, Y)-azine molecule and a model of a perfectly polar stacked bilayer. The floodlight illumination presents a graphic metaphor of second-harmonic generation (frequency doubling) by the crystalline ferroelectric materials. Read the full text of the article at 10.1002/chem.202400182.

Probing 3D Magnetic Fields Using Thermal Dust Polarization and Grain Alignment Theory

Magnetic fields are ubiquitous in the Universe and are thought to play an important role in various astrophysical processes. Polarization of thermal emission from dust grains aligned with the magnetic field is widely used to measure the 2D magnetic field projected onto the plane of the sky, but its component along the line of sight is not yet constrained. Here, we introduce a new method to infer 3D magnetic fields using thermal dust polarization and grain alignment physics. We first develop a physical model of thermal dust polarization using the modern grain alignment theory based on the magnetically enhanced radiative torque alignment theory. We then test this model with synthetic observations of magnetohydrodynamic simulations of a filamentary cloud with our updated POLARIS code. Combining the tested physical polarization model with synthetic polarization, we show that the B-field inclination angles can be accurately constrained by the polarization degree from synthetic observations. Compared to the true 3D magnetic fields, our method based on grain alignment physics is more accurate than the previous methods that assume uniform grain alignment. This new technique paves the way for tracing 3D B-fields using thermal dust polarization and grain alignment theory and for constraining dust properties and grain alignment physics.

Perfect Polar Alignment of Parallel Beloamphiphile Layers: Improved Structural Design Bias Realized in Ferroelectric Crystals of the Novel "Methoxyphenyl Series of Acetophenone Azines".

An improved design is described for ferroelectric crystals and implemented with the "methoxyphenyl series" of acetophenone azines, (MeO-Ph, Y)-azines with Y=F (1), Cl (2), Br (3), or I (4). The crystal structures of these azines exhibit polar stacking of parallel beloamphiphile monolayers (PBAMs). Azines 1, 3, and 4 form true racemates whereas chloroazine 2 crystallizes as a kryptoracemate. Azines 1-4 are helical because of the N-N bond conformation. In true racemates the molecules of opposite helicity (M and P) are enantiomers A(M) and A*(P) while in kryptoracemates they are diastereomers A(M) and B*(P). The stacking mode of PBAMs is influenced by halogen bonding, with 2-4 showcasing a kink due to directional interlayer halogen bonding, whereas fluoroazine 1 demonstrates ideal polar stacking by avoiding it. Notably, (MeO-Ph, Y)-azines display a stronger bias for dipole parallel alignment, attributed to the linearity of the biphenyl moiety as compared to the phenoxy series of (PhO, Y)-azines with their non-linear Ph-O-Ph moiety. The crystals of 1-4 all feature planar biphenyls and this synthon facilitates their crystallization through potent triple T-contacts and enhances their nonlinear optical (NLO) performance by increasing conjugation length and affecting favorable chromophore conformations in the solids.

Evaluation of polar alignment structure and surface anchoring energy in ferroelectric nematic liquid crystals by renormalized transmission spectroscopic ellipsometry

It is essential to estimate the surface polar anchoring energy in order to discuss the interfacial orientation of ferroelectric nematic liquid crystals. In this study, we accurately estimated the twist angle of a π -twist cell with an antiparallel rubbing manner, by means of renormalized transmission spectroscopic ellipsometry, which has a great deal of experience in measuring the twist angle of ordinary nematic liquid crystals. We also succeeded in estimating the reduced polar anchoring energy from the essential equation derived from the simplified torque balance equation. It is assumed that the reduced surface polar anchoring energy is on the order of 102.

Spin polarization and spin alignment from quantum kinetic theory with self-energy corrections

Spin polarization and spin alignment from quantum kinetic theory with self-energy corrections

Relativistic Effects on Circumbinary Disk Evolution: Breaking the Polar Alignment around Eccentric Black Hole Binary Systems

We study the effects of general relativity (GR) on the evolution and alignment of circumbinary disks around binaries on all scales. We implement relativistic apsidal precession of the binary into the hydrodynamics code phantom. We find that the effects of GR can suppress the stable polar alignment of a circumbinary disk, depending on how the relativistic binary apsidal precession timescale compares to the disk nodal precession timescale. Studies of circumbinary disk evolution typically ignore the effects of GR, which is an appropriate simplification for low-mass or widely separated binary systems. In this case, polar alignment occurs, provided that the disks initial misalignment is sufficiently large. However, systems with a very short relativistic precession timescale cannot polar align and instead move toward coplanar alignment. In the intermediate regime where the timescales are similar, the outcome depends upon the properties of the disk. Polar alignment is more likely in the wavelike disk regime (where the disk viscosity parameter is less than the aspect ratio, α < H/r), since the disk is in good radial communication. In the viscous disk regime, disk breaking is more likely. Multiple rings can destructively interact with one another, resulting in short disk lifetimes and the disk moving toward coplanar alignment. Around main-sequence star or stellar mass black hole binaries, polar alignment may be suppressed far from the binary, but in general, the inner parts of the disk can align to polar. Polar alignment may be completely suppressed for disks around supermassive black holes for close binary separations.

Site-Selective Excitation of Ti3+ Ions in Rutile TiO2 via Anisotropic Intra-Atomic 3d → 3d Transition.

Site-selective excitation (SSE), which is usually realized by tuning the wavelength of absorbed light, is an ideal way to study bond-selective chemistry, analyze the crystal structure, investigate protein conformation, etc., eventually leading to active manipulation of desired processes. Herein, SSE has been explored in (110)-, (100)-, and (011)-faced rutile TiO2, a prototypical material in both surface science and photocatalysis fields. Using ultraviolet photoelectron spectroscopy and photon energy-, substrate orientation-, and laser polarization-dependent two-photon photoemission spectroscopy (2PPE), intra-atomic 3d → 3d transition from the split Ti3+ 3d orbitals, i.e., band gap states and excited states at ∼1.00 eV below and ∼2.40 eV above the Fermi level, respectively, has been proven for all of the samples, suggesting that it is a common property of this material. The distinct structure of rutile TiO2 results in the anisotropic 3d → 3d transitions with the transition dipole moment along the long axes ([110] and [11̅0]) of TiO6 blocking units. This anisotropy facilitates the selective excitation of Ti3+ ions in the two types of TiO6, which cannot be realized by conventional wavelength tuning, via polarization alignment of the excitation source. Discovery in this work builds the foundation for future investigation of site-selective photophysical and photochemical processes and eventually possible active manipulation in this material at the atomic level.