Transition Polarization Research Articles

Mapping causal pathways with structural modes fingerprint for perovskite oxides

Abstract Causality is innate to determination of fundamental mechanism controlling any physical phenomena. However, combining causality within the standard practices of computational modeling to understand structure-functionality connections is extremely rare. This work proposes a fingerprint based on key structural modes for ABO3-type perovskite oxides and its derivatives, combined with causal models, for predicting Kohn-Sham energies. Our study of causal models capture the inherent coupling between structural modes such as rotation, tilt and antiferroelectric displacements, responsible for phase transition, polarization, magnetization and metal-insulator transition, exhibited by these materials. Although developed for modeling specific functionality, this method is universally applicable to derive other functionalities and even different material classes while tracking hidden causal mechanisms via structural distortions.

Large out-of-plane piezoelectric response and ultra-low polarization transition barriers in two-dimensional MoGe2N4/MoSi2N4 heterostructures

With the help of the first principle calculations, two-dimensional (2D) MoGe2N4/MoSi2N4 van der Waals (vdW) heterojunction was confirmed as a type II bandgap arrangement with distinct piezoelectric properties dependent on the stacking orders and interlayer interactions. This structural change is facilitated by slip interactions between the layers and is characterized by a process with a low energy barrier, allowing for efficient and responsive phase transition of structures. Notably, this heterojunction exhibits a particularly large out-of-plane piezoelectric coefficient, d33, within a finite thickness. Concurrently, the piezoelectric coefficient can be enhanced by adjusting the vertical strain to a specific value, and the out-of-plane piezoelectric coefficient d33 can be as high as 73.28 pm/V, which is larger than the values of the available 2D materials or their heterojunctions. In addition, we simulated a piezoelectric actuator on a two-dimensional scale, where the deformation of the upper surface of the piezoelectric brake was linearly modulated by adjusting the driving voltage. Thus, our research paves the way for the conceptualization and creation of cutting-edge nanoelectronic devices, electromechanical systems, and multifunctional atomic-scale appliances.

Analysis of broadband linear polarization-converting meta-materials and their sensing and detection functions

In this paper, we present a broadband perfect-reflective linear polarization-converting metamaterial, which achieves perfect-reflective linear polarization conversion over a broadband frequency range of 28.15 GHz–60.80 GHz, and the narrow-band perfect-polarization-converting peaks appearing at the high frequency of 67.121 GHz can be used for microwave solution concentration detection. The design consists of a surface metal resonator structure, a Roggers 5880 dielectric layer and a copper metal backing. The surface metal resonator is a combination of a circular open ring, a square open ring, and a centrally located cross-metal cross ring nested in a modified, highly anisotropic structure. The perfect polarization transition peak at the high frequency band can be used for the solution detection function, which can detect the concentration of salt solution, glucose solution, and alcohol solution. When the refractive index of the solution sample to be tested changes gradually from 1.0 to 1.4, the polarization conversion peak shows obvious frequency shift, and the peak polarization conversion rate is always kept above 99%. The polarization principle was analyzed using surface electromagnetic field distribution and related theories, and the sample structure was processed and tested. The designed super-surface polarization conversion structure has potential applications in the field of microwave detection and microwave communication.

Terahertz-absorbing,dual-polarization converting supersurface structures based on the phase-change material VO2

Dynamically tunable multifunctional hypersurface structures have attracted the interest of researchers due to their good control of electromagnetic waves. Based on this, we have designed a dynamically tunable multifunctional hypersurface structure using the phase change material vanadium dioxide. By changing the state of vanadium dioxide, three functions of efficient broadband wave absorption, linear polarization conversion (LPC) and linear circular polarization conversion (LCPC) can be achieved. At room temperature, the hypersurface is used as a polarization converter to achieve broadband linear polarization conversion in the 0.903 THz range and line-circular polarization conversion with a total bandwidth of 0.608 THz in the 0.522 THz, 0.964 THz and 1.448 THz bands. When the temperature is raised to 68 °C, the hypersurface structure can be used as a broadband absorber, absorbing more than 90% of the incident wave in a wide frequency range of 1.348 THz and showing a large tolerance to variations in the angle of incidence and polarization. The electromagnetic field distribution is used to illustrate the absorption mechanism, and Stokes analysis is introduced to evaluate the polarization transition state. The designed structure can realize three electromagnetic modulation functions by changing the excitation conditions and can cover a wide range of frequency bands. Finally, we used coding to simulate the effect of loss on the wave absorption results in real applications and verified the stability of the structure. Our design provides new ideas for the development of terahertz communication and multifunctional integrated devices.

Ti3C2Tx MXene-Decorated 3D-Printed Ceramic Scaffolds for Enhancing Osteogenesis by Spatiotemporally Orchestrating Inflammatory and Bone Repair Responses.

Inflammatory responses play a central role in coordinating biomaterial-mediated tissue regeneration. However, precise modulation of dynamic variations in microenvironmental inflammation post-implantation remains challenging. In this study, the traditional β-tricalcium phosphate-based scaffold is remodeled via ultrathin MXene-Ti3C2 decoration and Zn2+/Sr2+ ion-substitution, endowing the scaffold with excellent reactive oxygen species-scavenging ability, near-infrared responsivity, and enhanced mechanical properties. The induction of mild hyperthermia around the implant via periodic near-infrared irradiation facilitates spatiotemporal regulation of inflammatory cytokines secreted by a spectrum of macrophage phenotypes. The process initially amplifies the pro-inflammatory response, then accelerates M1-to-M2 macrophage polarization transition, yielding a satisfactory pattern of osteo-immunomodulation during the natural bone healing process. Later, sustained release of Zn2+/Sr2+ ions with gradual degradation of the 3D scaffold maintains the favorable reparative M2-dominated immunological microenvironment that supports new bone mineralization. Precise temporal immunoregulation of the bone healing process by the intelligent 3D scaffold enhances bone regeneration in a rat cranial defect model. This strategy paves the way for the application of β-tricalcium phosphate-based materials to guide the dynamic inflammatory and bone tissue responses toward a favorable outcome, making clinical treatment more predictable and durable. The findings also demonstrate that near-infrared irradiation-derived mild hyperthermia is a promising method of immunomodulation.

Ultra-large strain response in BNT-BT-KNN thin films boosted by electric field-induced inversion of long-range ordered polarization

Bismuth sodium titanate (BNT)-based piezoelectric materials are the most promising candidates for lead-free actuator applications. With the request for integration and size miniaturization of devices, it is urgent to develop thin films for microdevices to be compatible with semiconductor processes. Through composition engineering, BNT-based thin films were fabricated on silicon substrates, with ultra-high strain response and negligible hysteresis in strain curves. The DC-dependent and temperature-dependent dielectric properties were collected to investigate the relaxor state of thin films. The structure and polarization transition and evolution as a function of electric field and time were analyzed based on the electric characterization, in-situ Raman measurements, and dynamics PFM. The reversible phase transition and polarization order-disorder transformation are the most significant features for reaching a large strain of >1.6% in BNT-based thin films.

Krüppel-like Factor-4-Mediated Macrophage Polarization and Phenotypic Transitions Drive Intestinal Fibrosis in THP-1 Monocyte Models In Vitro.

Background and Objectives: Despite the fact that biologic drugs have transformed inflammatory bowel disease (IBD) treatment, addressing fibrosis-related strictures remains a research gap. This study explored the roles of cytokines, macrophages, and Krüppel-like factors (KLFs), specifically KLF4, in intestinal fibrosis, as well as the interplay of KLF4 with various gut components. Materials and Methods: This study examined macrophage subtypes, their KLF4 expression, and the effects of KLF4 knockdown on macrophage polarization and cytokine expression using THP-1 monocyte models. Co-culture experiments with stromal myofibroblasts and a conditioned medium from macrophage subtype cultures were conducted to study the role of these cells in intestinal fibrosis. Human-induced pluripotent stem cell-derived small intestinal organoids were used to confirm inflammatory and fibrotic responses in the human small intestinal epithelium. Results: Each macrophage subtype exhibited distinct phenotypes and KLF4 expression. Knockdown of KLF4 induced inflammatory cytokine expression in M0, M2a, and M2c cells. M2b exerted anti-fibrotic effects via interleukin (IL)-10. M0 and M2b cells showed a high migratory capacity toward activated stromal myofibroblasts. M0 cells interacting with activated stromal myofibroblasts transformed into inflammatory macrophages, thereby increasing pro-inflammatory cytokine expression. The expression of IL-36α, linked to fibrosis, was upregulated. Conclusions: This study elucidated the role of KLF4 in macrophage polarization and the intricate interactions between macrophages, stromal myofibroblasts, and cytokines in experimental in vitro models of intestinal fibrosis. The obtained results may suggest the mechanism of fibrosis formation in clinical IBD.

Modulation of dual-spin filtering by edge-hybridized pairing of β-SiC7 nanoribbons

Atomic capping is a common approach in edge modification to tune band engineering and can be achieved experimentally through hydrogen plasma etching. Based on first-principles calculations, nine symmetric and asymmetric structures are constructed with different numbers of hydrogen atoms passivated at the edge of β-SiC7 nanoribbons. An in-depth study reveals that different edge hydrogenations realize the transition from semiconductors to half-metals to metals, firstly, because different numbers of hydrogen atoms lead to different edge atomic orbital hybridizations, and, more importantly and specifically, because the bands around the Fermi level of β-SiC7 nanoribbons are all derived from the spatially separated edge states, so that arbitrary pairings of upper and lower edge hybridizations are able to diversify the bands near the Fermi level and bring about a richer electronic properties. We also design the metallic H-zSiC7NR-H and semiconducting 2H-zSiC7NR-H into a heterojunction, which possesses good dual spin filtering properties at low bias, can achieve a spin polarization transition from -100 % to 100 %, and exhibits the NDR phenomenon. These findings suggest that β-SiC7 nanoribbons have promising applications in the field of spintronics.

Strain-induced tunable valley polarization and topological phase transition in SVSiN2 monolayer

Strain-induced topologically nontrivial phase and valley polarized quantum anomalous Hall effect in the 2D Janus SVSiN2 monolayer.

Sufentanil enhances M1/M2 phenotypic polarization transition and alleviates LPS-triggered neuroinflammation in BV2 cells

Sufentanil enhances M1/M2 phenotypic polarization transition and alleviates LPS-triggered neuroinflammation in BV2 cells

Influence of the thickness of p-GaN ohmic contact layer on the performance of AlGaN-based deep-ultraviolet light-emitting diodes

276 nm AlGaN-based deep-ultraviolet light-emitting diodes (DUV-LEDs) with varying p-GaN thicknesses were investigated. The simulation results demonstrate that DUV-LEDs with an ultra-thin 4 nm p-GaN layer exhibit a 96.9% increase in full-angle total radiant intensity compared to those with a 350 nm p-GaN layer. Meanwhile, the total radiant intensity of the DUV-LEDs with 4 nm p-GaN were all elevated during the degree of polarization (DOP) transition from 1 to −1. The experimental results demonstrate that the maximum external quantum efficiency (EQE) and wall-plug efficiency (WPE) values of 5.3% and 4.0%, respectively, at 4 A/cm2 for the DUV-LEDs with a 4 nm p-GaN layer. These figures represent remarkable improvements of 60.6% and 42.8% when compared to DUV-LEDs featuring a 350 nm p-GaN layer. Nevertheless, it's worth noting that the adoption of an ultra-thin p-GaN ohmic contact layer introduced some surface irregularities, potentially affecting the ohmic contact of the p-type layer and resulting in a slight voltage increase, thus tempering the WPE improvement. The light extraction efficiency (LEE) values of 10.0%, 7.4%, 6.7% and 6.3% were extracted for the four samples after fitting the experimental EQE curves by the ABC model.

Possible way to achieve valley-polarized quantum anomalous Hall insulator

The valley-polarized quantum anomalous Hall insulator (VQAHI), which combines valleytronics and topology in one material, provides a path toward integrating valleytronics, topological quantum effects, and spintronics. Here, we propose a way of realizing VQAHIs in tetragonal quantum anomalous Hall insulators (QAHIs) by introducing valley polarization, which can be achieved by breaking C4 rotational symmetry. We use a concrete example of a QAHI Fe2I2 monolayer, where there are equivalent valleys along the Γ-X and Γ-Y lines in momentum space, to illustrate our proposal through first-principle calculations. By applying uniaxial strain along the x direction, the rotational symmetry C4 is reduced into C2, which induces valley polarization. With uniaxial strain from a compressive one to a tensile one, valley polarization transition can be induced. Moreover, the nonzero Berry curvature around valleys can produce the anomalous valley Hall effect. With the considered strain range, the quantum anomalous Hall properties can be maintained. Therefore, a VQAHI can be realized in strained Fe2I2. Our works propose an experimentally feasible way to realize valley polarization and VQAHIs.

The footprint of linear dichroism in infrared 2D-Correlation spectra

On the level of the Bouguer-Beer-Lambert approximation, the effects introduced by linear dichroism into absorbance spectra can be simulated by classic linear dichroism theory. If wave optics and dispersion theory are employed, linear dichroism can be modelled with a 4x4 matrix formalism. For linear dichroism theory, the angle between polarization direction and transition moment can be seen as a perturbation which allows to calculate corresponding infrared 2D correlation spectra. Similarly, with help of an orientation representation based on Euler’s angles, varying the latter allows the same if electromagnetic theory is employed. Correspondingly, we compare the substantially different footprints of linear dichroism according to both theories in infrared 2D correlation spectra and show that only those based on wave optics and dispersion theory are in accordance with experimental results. Accordingly, in particular asynchronous 2D correlation spectra allow to detect orientation with a sensitivity that is unparalleled in case of conventional spectra, even if they are recorded with help of a polarizer and an analyzer.

Single-cell RNA sequencing reveals distinct chondrocyte states in femoral cartilage under weight-bearing load in Rheumatoid arthritis.

Rheumatoid arthritis (RA) is a common autoimmune joint disease, the pathogenesis of which is still unclear. Cartilage damage is one of the main manifestations of the disease. Chondrocytes are the main functional component of articular cartilage, which is relevant to disease progression. Mechanical loading affects the structure and function of articular cartilage and chondrocytes, but the effect of weight bearing on chondrocytes in rheumatoid arthritis is still unclear. In this paper, single-cell RNA sequencing (scRNA-seq) was performed on collected cartilage from the weight-bearing region (Fb group) and non-weight-bearing region (Fnb group) of the femur, and the differences between the Fb and Fnb groups were analyzed by cell type annotation, pseudotime analysis, enrichment analysis, cell interactions, single-cell regulatory network inference and clustering (SCENIC) for each cell type. A total of 87,542 cells were analyzed and divided into 9 clusters. Six chondrocyte subpopulations were finally identified by cellular annotation, and two new chondrocyte subtypes were annotated as immune-associated chondrocytes. The presence of each chondrocyte subpopulation and its distribution were verified using immunohistochemical staining (IHC). In this study, the atlas of femoral cartilage in knee rheumatoid arthritis and 2 new immune-related chondrocytes were validated using scRNA-seq and IHC, and chondrocytes in the weight-bearing and non-weight-bearing regions of the femur were compared. There might be a process of macrophage polarization transition in MCs in response to mechanical loading, as in macrophages. Two new immune-associated chondrocytes were identified. MCs have contrasting functions in different regions, which might provide insight into the role of immune and mechanical loading on chondrocytes in the development of knee rheumatoid osteoarthritis.

Crystal structure engineering of GdFeO3/Mxene composites with excellent electromagnetic wave absorption: Role of phase transition and high polarizability

The development of new materials capable of absorbing electromagnetic waves (EMA) is crucial to address issues like signal interference and crosstalk. In this study, we synthesized a novel composite material by combining MXene with GdFeO3 nanoparticles, employing crystal structure engineering to enhance electromagnetic wave attenuation between 2 and 18 GHz. The GdFeO3 (GFO) nanoparticles, sized at 30–40 nm, were evenly dispersed on the MXene layers' surface. Analysis of the composite material through XRD and Raman spectra revealed different phases of GdFeO3, exhibiting distinct crystal symmetries and coordination states. XPS and EPR measurements indicated the coexistence of various valence states of Fe, leading to oxygen vacancies within the lattice. By incorporating MXene, the composite material's specific surface area, and dielectric properties were significantly increased. The improved polarization and phase transition behavior resulted in a remarkable enhancement of the P-E loop, DM constant, and attenuation constant. The combination of the high-quality ferroelectric GdFeO3 and the disordered crystal phase within the multilayered MXene matrix led to enhanced conductive and magnetic losses. Experimental results demonstrated that the Pbnm GdFeO3/MXene composites displayed outstanding EMA performance. At a 4 mm thickness, the minimum reflection loss achieved was − 61.5 dB, and an impressive effective absorption bandwidth of 8.62 GHz was attained at 10.8 GHz. This achievement can be attributed to the exceptional dielectric, magnetic, and multiple reflections contributing to the superior EMA absorption performance, providing a broad band of frequencies.

Octahedron distortion-triggered dipole–spin interaction in multiferroic magnetoelectric perovskites

The design of perovskite structures with multiferroic magnetoelectric coupling effects opens up new opportunities in fields such as the creation of next-generation spin-dependent multistate information storage technologies. In this work, we prepared a transition metal-implanted perovskite with multiferroic magnetoelectric coupling, in which both magnetoelectric coupling and a blueshift of photoluminescence were observed. The introduction of transition metal-generated polarized spin interacts with the electronic orbit through spin–orbital coupling to lead to a pronounced octahedron distortion, where the temperature dependence of the dielectric constant undergoes a ferroelectric polarization transition. An external magnetic field could enhance the strength of spin polarization to further affect the magnitude of electric polarization. Moreover, applying an electric field tunes the distortion of the octahedron dependence of electric polarization to feed back to the change in spin polarization. Overall, the spin polarization-induced electric polarization in perovskites provides a unique approach to realizing the room-temperature magnetoelectric coupling of multiferroic materials.

Rhein-attenuates LPS-induced acute lung injury via targeting NFATc1/Trem2 axis

BackgroundEvidence indicated that the early stage transition of macrophages’ polarization stages yielded a superior prognosis for acute lung injury (ALI) or acute respiratory distress syndrome (ARDS). Rhein (cassic acid) is one major component of many traditional Chinese medicines, and has been reported to perform with strong anti-inflammation capabilities. However, the role rhein played and the mechanism via which it did so in LPS-induced ALI/ARDS remain unclear.MethodsALI/ARDS was induced by LPS (3 mg/kg, i.n, st), accompanied by the applications of rhein (50 and 100 mg/kg, i.p, qd), and a vehicle or NFATc1 inhibitor (10 mg/kg, i.p, qd) in vivo. Mice were sacrificed 48 h after modeling. Lung injury parameters, epithelial cell apoptosis, macrophage polarization, and oxidative stress were examined. In vitro, conditioned medium from alveolar epithelial cells stimulated by LPS was used for culturing a RAW264.7 cell line, along with rhein administrations (5 and 25 μM). RNA sequencing, molecule docking, biotin pull-down, ChIP-qPCR, and dual luciferase assay were performed to clarify the mechanisms of rhein in this pathological process.ResultsRhein significantly attenuated tissue inflammation and promoted macrophage M2 polarization transition in LPS-induced ALI/ARDS. In vitro, rhein alleviated the intracellular ROS level, the activation of P65, and thus the M1 polarization of macrophages. In terms of mechanism, rhein played its protective roles via targeting the NFATc1/Trem2 axis, whose function was significantly mitigated in both Trem2 and NFATc1 blocking experiments.ConclusionRhein promoted macrophage M2 polarization transition by targeting the NFATc1/Trem2 axis to regulate inflammation response and prognosis after ALI/ARDS, which shed more light on possibilities for the clinical treatments of this pathological process.

Levetiracetam attenuates diabetes-associated cognitive impairment and microglia polarization by suppressing neuroinflammation.

Introduction: Cognitive impairment is a common complication and comorbidity of diabetes. However, the underlying mechanisms of diabetes-associated cognitive dysfunction are currently unclear. M1 microglia secretes pro-inflammatory factors and can be marked by CD16, iNOS, Iba1 and TNF-ɑ. The decline of M2 microglia in the diabetic rats indicates that high glucose promotes the differentiation of microglia into the M1 type to trigger neuroinflammatory responses. Moreover, there is a lack of strong evidence for treatments of diabetes-associated cognitive impairment in addition to controlling blood glucose. Methods: Diabetic rats were established by intraperitoneal injection of one dose of streptozotocin (60mg/kg). Polarization transitions of microglia were induced by high glucose treatment in BV2 cells. Levetiracetam was orally administered to rats 72h after streptozotocin injection for 12weeks. Results: In STZ-induced diabetic rats, the results demonstrated that levetiracetam improved rat cognitive function (Morris water maze test) and hippocampus morphology (Hematoxylin-eosin staining), and the effect was more evident in the high-dose levetiracetam group. Microglia activation in the hippocampus was inhibited by levetiracetam treatment for 12 weeks. Serum levels of TNF-α, IL-1β, and IL-6 were reduced in the LEV-L and LEV-H groups, and IL-1β level was obviously reduced in the LEV-H group. In vitro, we found that levetiracetam 50µM attenuated high-glucose induced microglial polarization by increasing IL-10 level and decreasing IL-1β and TNF-α levels. Moreover, levetiracetam 50µM increased and decreased the proportion of CD206+/Iba1+ and iNOS+/Iba1+cells, respectively. Western blot analysis illustrated that LEV 50µM downregulated the expression of MyD88 and TRAF6, and phosphorylation of TAK1, JNK, p38, and NF-κB p65. The effect of levetiracetam on the anti-polarization and expression of p-JNK and p-NF-κB p65 were partly reversed by anisomycin (p38 and JNK activators). Discussion: Together, our data suggest that levetiracetam attenuates streptozotocin-induced cognitive impairment by suppressing microglia activation. The in vitro findings also indicate that the levetiracetam inhibited the polarization of microglia via the JNK/MAPK/NF-κB signaling pathway.

Manipulating Parallel and Perpendicular Multiphoton Transitions in H2 Molecules

We demonstrate that dissociative ionization of H_{2} can be fully manipulated in an angle-time-resolved fashion, employing a polarization-skewed (PS) laser pulse in which the polarization vector rotates. The leading and falling edges of the PS laser pulse, characterized by unfolded field polarization, trigger, sequentially, parallel and perpendicular transitions of stretching H_{2} molecules, respectively. These transitions result in counterintuitive proton ejections that deviate significantly from the laser polarization directions. Our findings demonstrate that the reaction pathways can be controlled through fine-tuning the time-dependent polarization of the PS laser pulse. The experimental results are well reproduced using an intuitive wave-packet surface propagation simulation method. This research highlights the potential of PS laser pulses as powerful tweezers to resolve and manipulate complex laser-molecule interactions.

Optical polarization and spectral properties of the hydrogen-poor superluminous supernovae SN 2021bnw and SN 2021fpl

ABSTRACTNew optical photometric, spectroscopic, and imaging polarimetry data are combined with publicly available data to study some of the physical properties of the two hydrogen-poor superluminous supernovae (SLSNe) SN 2021bnw and SN 2021fpl. For each SLSN, the best-fitting parameters obtained from the magnetar model with Modular Open-Source Fitter for Transients do not depart from the range of parameter obtained on other SLSNe discussed in the literature. A spectral analysis with SYN++ shows that SN 2021bnw is a W type, fast evolver, while SN 2021fpl is a 15bn type, slow evolver. The analysis of the polarimetry data obtained on SN 2021fpl at four epochs (+1.8, +20.6, +34.1, and +43.0 d, rest frame) shows >3σ polarization detections in the range of 0.8–1 per cent. A comparison of the spectroscopy data suggests that SN 2021fpl underwent a spectral transition a bit earlier than SN 2015bn, during which, similarly, it could have underwent a polarization transition. The analysis of the polarimetry data obtained on SN 2021bnw does not show any departure from symmetry of the photosphere at an empirical diffusion time-scale of ≈2 (+81.1 d rest frame). This result is consistent with those on the sample of W-type SLSN observed at empirical diffusion time-scale ≤ 1 with that technique, even though it is not clear the effect of limited spectral windows varying from one object to the other. Measurements at higher empirical diffusion time-scale may be needed to see any departure from symmetry as it is discussed in the literature for SN 2017egm.