Bulk Polarization Research Articles

Synergistic Interactions of Bulk Polarization and Built-In Electric Field Inducing 2D/2D S-Scheme Homojunction Toward Enhanced Photocatalytic Performance.

The rational design of S-scheme photocatalysts, achieved by serially integrating two different semiconductors, represents a promising strategy for efficient charge separation and amplified photocatalytic performance, yet it remains a challenge. Herein, ZnIn2S4 (ZIS) and oxygen-doped ZnIn2S4 (O-ZIS) nanosheets are chosen to construct a homojunction catalyst architecture. Theoretical simulations alongside comprehensive in situ and ex situ characterizations confirm that ZIS and O-ZIS with noncentrosymmetric layered structures can generate a polarization-induced bulk-internal electric field (IEF) within the crystal. A robust interface-IEF is also created by the strong interfacial interaction between O-ZIS and ZIS with different work functions. Owing to these features, the O-ZIS/ZIS homojunction adopts an S-scheme directional charge transfer route, wherein photoexcited electrons in ZIS and holes in O-ZIS concurrently migrate to their interface and subsequently recombine. This enables spatial charge separation and provides a high driving force for both reduction and oxidation reactions simultaneously. Consequently, such photocatalyst exhibits an H2 evolution rate up to 142.9µmol h-1 without any cocatalysts, which is 4.6- and 3.4-fold higher than that of pristine ZIS and O-ZIS, respectively. Benzaldehyde is also produced as a value-added oxidation product with a rate of 146.9µmol h-1. This work offers a new perspective on the design of S-scheme systems.

Photophysical properties of fisetin embedded in polymer matrix modulated by both bulk polarity and non-bonding interactions

Slow solvation dynamics and abundant non-bonding interactions in polymer matrix can modulate photophysical properties of guest chromophores. In this work, we used fisetin as a fluorescent probe to explore the microenvironment in poly vinyl alcohol (PVA) matrix and its effect on excited-state proton transfer (ESPT). Compared to in PVA solution, fluorescence of fisetin in PVA film is largely enhanced and ESPT barrier is increased. Both bulk polarity of PVA film and site-specific intermolecular hydrogen bonding between water and fisetin were determined to contribute to anomalous absorption and emission properties absent in solutions.

Scaling of the bulk polarization in extended and localized phases of a quasiperiodic model

Scaling of the bulk polarization in extended and localized phases of a quasiperiodic model

Coupled topological edge and corner states in two-dimensional phononic heterostructures with nonsymmorphic symmetries

The exciting discovery of topological phononic states has aroused great interest in the field of acoustic wave control. However, conventional topological edge states and corner states localized at the interface and corner of the two-phase domain wall structures are limited by single channel transmission characteristics, which decreases the flexibility of designing multi-channel acoustic wave devices. Here, we propose a two-dimensional (2D) topological phononic heterostructure with nonsymmorphic symmetries to realize the multiple interface topological multimode interference effect based on the coupling of topological edge and corner states. Topological phase transitions are achieved by altering the rotation angle of the split-ring scatterers in a square lattice. The coupled edge states are generated by the coupling between the edge states of ordinary-topological-ordinary (OTO) interfaces. Moreover, the higher-order topology of the square phononic crystals (PCs) is characterized by nontrivial bulk polarization, the topological and coupled corner states splitting into two pairs appear in the square OTO bend structure owing to the nonsymmorphic PC lack of mirror symmetries. Finally, the topological robustness of the multimode interference effect of coupled edge and corner states against defects is demonstrated. Our results pave the way for guiding and trapping acoustic waves in topological nonsymmorphic heterostructures, whose multi-channel transmission capability can be employed for designing topological phononic filters, couplers and multiplexers.

Chip‐Scale Optically Pumped Magnetometry Enabled by Tailorable Elliptical Dichroism Metasurface

AbstractEmerging miniaturized optically pumped magnetometers (OPMs) are becoming one of the most desirable approaches for biomagnetic imaging, especially for OPM with elliptically polarized light, which promises single‐light optical pumping and detection with high sensitivity. However, conventional schemes of this kind require a set of bulk polarization optics and tedious adjustment procedures, which compromise the system's compactness and practicality. In this paper, a novel chip‐scale OPM scheme that leverages the monolithic elliptical meta‐polarizer is presented and experimentally demonstrated. The meta‐polarizer with a side length of 3 mm is laid out on a 2 × 2 cm2 glass wafer. It offers the capability to convert arbitrary incident polarization into the desired elliptical polarization and exhibits a tailorable elliptical dichroism (ED) of ≈0.77 at the wavelength of 795 nm. A 4 × 4 × 4 mm3 vapor cell containing 87Rb and N2 is combined with this elliptical meta‐polarizer to construct a miniaturized OPM. The sensitivity of this sensor reaches approximately 13 fT/Hz1/2 in a four‐layer magnetic shield with a dynamic range near zero magnetic field ≈ ±0.55 nT. By exploiting the advantages of planar integrated optics, reduced footprints and scalability are promised. And this work paves the way for the integration of emerging quantum sensors on a chip.

Nonuniqueness in defining the polarization: Nonlocal surface charges and the electrostatic, energetic, and transport perspectives

Ionic crystals, ranging from dielectrics to solid electrolytes to complex oxides, play a central role in the development of modern technologies for energy storage, sensing, actuation, and other functional applications. Mesoscale descriptions of these crystals are based on the continuum polarization density field to represent the effective physics of charge distribution at the scale of the atomic lattice. However, a long-standing difficulty is that the classical electrostatic definition of the macroscopic polarization — as the dipole or first moment of the charge density in a unit cell — is not unique; rather, it is sensitive to translations of the unit cell in an infinite periodic system. This unphysical non-uniqueness has been shown to arise from starting directly with an infinite system — wherein the boundaries are ill-defined — rather than starting with a finite body and taking appropriate limits. This limit process shows that the electrostatic description requires not only the bulk polarization density, but also the surface charge density, as the effective macroscopic descriptors; that is, a nonlocal effective description. Other approaches to resolve this difficulty include the popular modern theory of polarization that completely sets aside the polarization as a fundamental quantity in favor of the change in polarization from an arbitrary reference value and then relates the change in polarization to the transport of charge (the “transport” definition); or, in the spirit of classical continuum mechanics, to define the polarization as the energy-conjugate to the electric field (the “energetic” definition).This work examines the relation between the classical electrostatic definition of polarization, and the transport and energy-conjugate definitions of polarization. We show the following: (1) The transport of charge does not correspond to the change in polarization in general; instead, one requires additional simplifying assumptions on the electrostatic definition of polarization for these approaches to give rise to the same macroscopic electric fields. Thus, the electrostatic definition encompasses the transport definition as a special case. (2) The energy-conjugate definition has both bulk and surface contributions; while traditional approaches neglect the surface contribution, we find that accounting for the nonlocal surface contributions is essential to be consistent with the classical definition and obtain the correct macroscopic electric fields.

Edge and corner states in non-Hermitian second-order topological photonic crystals

The PT symmetric phase transition existing in the gain-loss boundary of non-Hermitian second-order topological photonic crystals is investigated. The variation of the 2D bulk polarization of the photonic bands is analyzed as the gain-loss quantity increases. By tuning the gain or loss strength, topological edge states can appear at the interface between different non-Hermitian topologically nontrivial photonic crystals. Both the edge and corner states are studied in a topological cavity composed of a square closed domain wall between gain and loss domains. Calculated results show the non-Hermitian cavity has better mode localization of the electric field than the Hermitian one. Besides, the existence of the non-Hermitian induced states does not require strict balance of the gain and loss.

Analysis and simulation of bulk polarization mechanism in p-GaN HEMT with AI component gradient buffer layer

In this paper,bulk polarization mechanism and radiation simulation of the Al component gradient buffer layer (GBL) and constant buffer layer (CBL) of p-GaN HEMT (p-GaN GBL-HEMT and p-GaN CBL-HEMT) are analyzed and studied. It is found that the p-GaN GBL-HEMT can significantly reduce the buffer leakage current. The linear gradient amplitude (the range of linear gradients of Al components vertically in the buffer) of 20%–25% Al components can significantly increase the breakdown voltage (V BK) of the device, up to 1312 V. Simultaneously, although the p-GaN GBL-HEMT reduces the 2DEG concentration, the device still has a specific on-resistance (R ON,sp) and drain saturation current (I DS,sat) equivalent to the p-GaN CBL-HEMT due to the conductivity modulation effect. Its Baliga figure of merit is up to 2.27 GW cm−2. Finally, through the SEE simulation and the bulk polarization mechanism analysis, it is found that the drain transient current (I DS,trans) by the identical incident particles in the p-GaN GBL-HEMT is lower than that in the p-GaN CBL-HEMT, and the I DS,trans decreases with the increase of the Al components gradient amplitude. Therefore, the p-GaN GBL-HEMT provides a new idea for improving the electrical performance and SEE hardening.

Delocalization and higher-order topology in a nonlinear elastic lattice

Topological elastic waves provide novel and robust ways for manipulating mechanical energy transfer and information transmission, with potential applications in vibration control, analog computation, and more. Recently discovered higher-order topological insulators (HOTIs) with multidimensional and hierarchical edge states can further expand the capabilities of topological elastic waves. However, the effects of nonlinearity on elastic HOTIs remain elusive. In this paper, we propose a nonlinear elastic higher-order topological Kagome lattice. After briefly reviewing its linear properties, we explore the effects of nonlinearity on the higher-order band topology and topological states. To do this, we have developed a method to calculate approximate nonlinear modes in order to identify the bulk polarization and probe the higher-order topological phase in the nonlinear lattice. We find that nonlinearity induces unusual delocalization of topological corner states, band crossing, and higher-order topological phase transition. The delocalization reveals that intracell hardening nonlinearity leads to direct delocalization of topological corner states while intracell softening nonlinearity first enhances and then reduces localization. The nonlinear higher-order topological phase is amplitude dependent, and we demonstrate a transition from a trivial to a non-trivial phase, enabling amplitude induced topological corner and edge states. Additionally, this phase transition corresponds to the closing and reopening of the bandgap, accompanied by an unusual band crossing. By examining the band topology before and after the band crossing, we find that the bulk polarization becomes quantized with respect to amplitude and can predict higher-order topological phases in nonlinear lattices. The obtained results are expected to be beneficial for the development of tunable and robust elastic wave devices.

Learning Electronic Polarizations in Aqueous Systems.

The polarization of periodically repeating systems is a discontinuous function of the atomic positions, a fact which seems at first to stymie attempts at their statistical learning. Two approaches to build models for bulk polarizations are compared: one in which a simple point charge model is used to preprocess the raw polarization to give a learning target that is a smooth function of atomic positions and the total polarization is learned as a sum of atom-centered dipoles and one in which instead the average position of Wannier centers around atoms is predicted. For a range of bulk aqueous systems, both of these methods perform perform comparatively well, with the former being slightly better but often requiring an extra effort to find a suitable point charge model. As a challenging test, we also analyze the performance of the models at the air-water interface. In this case, while the Wannier center approach delivers accurate predictions without further modifications, the preprocessing method requires augmentation with information from isolated water molecules to reach similar accuracy. Finally, we present a simple protocol to preprocess the polarizations in a data-driven way using a small number of derivatives calculated at a much lower level of theory, thus overcoming the need to find point charge models without appreciably increasing the computation cost. We believe that the training strategies presented here help the construction of accurate polarization models required for the study of the dielectric properties of realistic complex bulk systems and interfaces with ab initio accuracy.

Dual Polarization Strategy for Boosting Electron-Hole Separation toward Overall Water Splitting within Ferroelectric β-AIBIIIO2 (BIII = P3+, As3+, Sb3+, and Bi3+ for Lone Pairs).

Ferroelectric materials, leveraging an inherent built-in electric field, are excellent in suppressing electron-hole recombination. However, the reliance solely on bulk polarization remains insufficient in enhancing carriers' separation and migration, limiting their practical application in photocatalytic overall water splitting (POWS). To address this, we incorporated cations with ns2 lone pairs (P3+, As3+, Sb3+, and Bi3+) into ferroelectric semiconductors, successfully constructing 44 β-AIBIIIO2 photocatalysts with dual polarization. Through rigorous first-principles calculations and screenings for stability, band characteristics, and polarization, we identified four promising candidates: β-LiSbO2, β-NaSbO2, β-LiBiO2, and β-TlBiO2. Within these materials, lone pairs induce local polarization in the xy-plane. Additionally, out of the plane, there is robust bulk polarization along the z-direction. This synergistic effect of the combined local and bulk polarization significantly improves the separation efficiency of electron-hole pairs. Explicitly, the electron mobility of the four candidates ranges from 105 to 106 cm2 s-1 V-1, while the hole mobility also increases significantly compared to single-phase polarized materials, up to 106 cm2 s-1 V-1. Notably, β-TlBiO2 is predicted to achieve a solar-to-hydrogen (STH) efficiency of 17.2%. This study not only offers insights for water-splitting catalyst screening but also pioneers a path for electron-hole separation through the dual polarization strategy.

Topological Corner Modes by Composite Wannier States in Glide‐Symmetric Photonic Crystal

AbstractSecond‐order topological insulators can be characterized by their bulk polarization, which is believed to be intrinsically connected to the center of the Wannier function. In this study, the existence of second‐order topological insulators is demonstrated that feature a pair of partially degenerate photonic bands. These arise from the nonsymmorphic glide symmetry in an all‐dielectric photonic crystal. The center of the maximally localized Wannier function (MLWF) is consistently located at the origin but is not equivalent with respect to the sum of constituent polarizations. As a result, topological corner modes can be identified by the distinctly hybridized MLWFs that truncate at the sample boundary. Through full‐wave numerical simulations paired with microwave experiments, the second‐order topology is clearly confirmed and characterized. These topological corner states exhibit notably unique modal symmetries, which are made possible by the inversion of the Wannier bands. These results provide an alternative approach to explore higher‐order topological physics with significant potential for applications in integrated and quantum photonics.

Polarization Coupling between Ferroelectric Liquids and Ferroelectric Solids: Effects of the Fringing Field Profile

Recent experiments devoted to characterizing the behavior of sessile ferroelectric liquid droplets on ferroelectric solid substrates have shown the existence of a droplet electromechanical Rayleigh-like instability. The instability is induced by the bulk polarization of the ferroelectric fluid, which couples to the polarization of the underlying substrate through its fringing field and solid–fluid interface coupling. With the aim of characterizing this phenomenon, namely the coupling between the polarizations of a fluid and a solid material, we studied the behavior of ferroelectric liquid droplets confined between two solid substrates, arranged in different configurations, realized to generate fringing fields with different profiles. The results show that the features of the droplets instability are indeed affected by the specific fringing field shape in a way dominated by the minimization of the electrostatic energy associated with the bulk polarization of the ferroelectric fluid.

Wannier charge center, spin resolved bulk polarization, and corner modes in a strained quantum spin Hall insulator

Wannier charge center, spin resolved bulk polarization, and corner modes in a strained quantum spin Hall insulator

Polarization and Weak Topology in Chern Insulators.

Chern insulators, and more broadly, topological insulators, present an obstruction to the construction of exponentially localized electronic Wannier functions. This implies a fundamental difficulty in determining whether such insulators exhibit electric polarization. Here, we show that these insulators can indeed exhibit bound charges and adiabatic currents consistent with changes in bulk polarization over space and time, respectively. We also show that the change in polarization across crystalline domains within these strong topological insulators is quantized in the presence of crystalline symmetries.

Hermitian and non-hermitian higher-order topological states in mechanical metamaterials

Higher-order topological insulators exhibit clear hierarchical boundary states, providing an amazing platform for robust wave manipulations in mechanical or acoustic systems. Recently, this theory has been extended to non-Hermiticity-induced higher-order topology, which enables actively controllable topological transport. Nevertheless, most related studies focus on the non-Hermitian quadrupole topology, associated with the coexistence of negative and positive couplings to constitute a π-flux lattice, which hindered the realizations in classical wave systems. Here, we propose a novel tight-binding model without negative couplings, which supports non-Hermiticity-induced higher-order topological states. In the Hermitian case, the middle band gaps host the vanishing bulk polarization and the associated topology is dependent only upon the associated edge polarization. By introducing the external loss as non-Hermitian components, we reveal that therein the trivial structures can also host topological corner states, featured by the quantized nonzero edge polarizations in the biorthogonal basis. Furthermore, such a topological phase transition induced by non-Hermiticity can be realized for almost all of our lattices, except for the isotropic case where the middle band gaps never open. Basing on the theoretical design, we map the lattice models into the mechanical metamaterials to access the analogous higher-order topology in the elastic wave systems for both Hermitian and non-Hermitian physics. The simulated band structures match well with theoretical solutions. And the robust higher-order topological states are also identified. Our work paves the way to implement the non-Hermitian higher-order topology and offers the possibility for wave manipulations in non-Hermitian systems.

Effect of Mixing Intensity on Electrochemical Performance of Oxide/Sulfide Composite Electrolytes

Despite the variety of solid electrolytes available, no single solid electrolyte has been found that meets all the requirements of the successor technology of lithium-ion batteries in an optimum way. However, composite hybrid electrolytes that combine the desired properties such as high ionic conductivity or stability against lithium are promising. The addition of conductive oxide fillers to sulfide solid electrolytes has been reported to increase ionic conductivity and improve stability relative to the individual electrolytes, but the influence of the mixing process to create composite electrolytes has not been investigated. Here, we investigate Li3PS4 (LPS) and Li7La3Zr2O12 (LLZO) composite electrolytes using electrochemical impedance spectroscopy and distribution of relaxation times. The distinction between sulfide bulk and grain boundary polarization processes is possible with the methods used at temperatures below 10 °C. We propose lithium transport through the space-charge layer within the sulfide electrolyte, which increases the conductivity. With increasing mixing intensities in a high-energy ball mill, we show an overlay of the enhanced lithium-ion transport with the structural change of the sulfide matrix component, which increases the ionic conductivity of LPS from 4.1 × 10−5 S cm−1 to 1.7 × 10−4 S cm−1.

Evolution of conduction mechanism in Ca-doped YFe0.5Co0.5O3 compound by complex impedance spectroscopy

The ceramic samples of Y1-xCaxFe0.5Co0·5O3 (x = 0.15, 0.25, 0.35) has been synthesized using solid-state reaction method. These samples exhibited orthorhombic perovskite structure and belonged to the Pbnm space group. X-ray analysis confirmed that Ca2+ ions replaced Y3+ ions at the A-site of perovskite structured YFe0·5Co0·5O3 compound, while XPS studies confirmed the oxidation states of the constituent atoms. SEM micrographs and Williamson-Hall analysis showed that the crystallite size reduces with increasing Ca content, resulting in a strain-free, accommodated and stable microstructure. Complex impedance spectroscopic investigations established that the dispersion behaviors exhibited by the samples are due to Interfacial and Bulk polarizations. These phenomena are attributed to the accumulation of space charges and the hopping of electrons, respectively. Study further explore the semiconducting nature and negative temperature coefficient behavior of the material. Nyquist plots showed that grain interior is the major contributor to the conduction mechanism, while grain boundaries playing a secondary role. Correlated Barrier Hopping (CBH) has emerged as a suitable model to elucidate the conduction mechanism. The conduction process facilitated by CBH could potentially account for the observed negative permittivity in the material.

Flexoelectric polarizing and control of a ferromagnetic metal

Electric polarization is well defined only in insulators not metals, and there is no general scheme to induce and control bulk polarity in metals. Here we circumvent this limitation by utilizing a pseudo-electric field generated by inhomogeneous lattice strain, namely a flexoelectric field, as a means of polarizing and controlling a metal. Using heteroepitaxy and atomic-scale imaging, we show that flexoelectric fields polarize the bulk of an otherwise centrosymmetric metal SrRuO3, with off-centre displacements of Ru ions. This further impacts the electronic bands and lattice anisotropy of the flexo-polar SrRuO3, potentially leading to an enhancement of electron correlation, ferromagnetism and its anisotropy. Beyond conventional electric fields, flexoelectric fields may be used to create and control electronic states through pure atomic displacements.

Observation of a Higher-Order End Topological Insulator in a Real Projective Lattice.

The modern theory of quantized polarization has recently extended from 1D dipole moment to multipole moment, leading to the development from conventional topological insulators (TIs) to higher-order TIs, i.e., from the bulk polarization as primary topological index, to the fractional corner charge as secondary topological index. The authors here extend this development by theoretically discovering a higher-order end TI (HOETI) in a real projective lattice and experimentally verifying the prediction using topolectric circuits. A HOETI realizes a dipole-symmetry-protected phase in a higher-dimensional space (conventionally in one dimension), which manifests as 0D topologically protected end states and a fractional end charge. The discovered bulk-end correspondence reveals that the fractional end charge, which is proportional to the bulk topological invariant, can serve as a generic bulk probe of higher-order topology. The authors identify the HOETI experimentally by the presence of localized end states and a fractional end charge. The results demonstrate the existence of fractional charges in non-Euclidean manifolds and open new avenues for understanding the interplay between topological obstructions in real and momentum space.