Polar Displacements Research Articles

Gravity wave variations and contributions to stratospheric sudden warming using long-term ERA5 model output

This work analyzed ERA5 (ECMWF ReAnalysis) data from 1979 to 2018 to study changes in stratospheric gravity waves (GWs) associated with stratospheric sudden warming (SSWs). GW variations are examined by separating them into polar vortex split and displacement events. In general, GW amplitudes show enhancements prior to the wind reversal at 10 hPa and 60°N and reductions after the wind reversal. GW enhancements are larger during polar vortex split events compared to displacement events, likely due to the location of the polar vortex and background wind conditions. Locations of GW enhancements are different between split events and displacement events and these locations correlate with the locations of polar vortex edge where background wind is strong. GW drag (GWD) and Eliassen-Palm (EP) flux divergences are also analyzed to understand GW contributions to occurrences of SSWs. Our results indicate maximum GWD prior to SSWs are ~18% of the total drag, and timing of eastward zonal wind weakening is coincident with enhancements of westward GWD. These results indicate that although the main driver of SSWs are planetary waves, GWs can contribute to the occurrences of SSWs.

A polar motion prediction method considering the polar coordinates

Conventional polar motion (PM) parameter modelling and forecasting research is directly based on observation data for PM parameters. For any given PM, its periodic characteristics are basically the same since it is affected by the same excitation source. However, the time-varying patterns of PM in different coordinates or with different parameterizations are generally different. Therefore, it is possible for one parameterization to show better regularity than another. Notably, for the first time, daily polar displacement and the angle of polar displacement with respect to the X axis of the terrestrial frame display better regularity than the observed polar motion value. Therefore, improved accuracy could be expected in modelling and forecasting using the above two parameters. Different approach was tested to verify the effectiveness and the superiority of the proposed method based on multiple sets of PM prediction experiments with the data of IERS 14 C04 series which spanned from 1 January 2018 to 26 September 2020. Compared with typical conventional approach, the maximum prediction accuracy of the proposed method in the PMX direction and the PMY direction is increased by 59.9% and 63.2%, respectively, and the corresponding 1–500-day forecasting accuracies are improved by 25.1% and 36.4%, respectively, on average.

Growth and Atomically Resolved Polarization Mapping of Ferroelectric Bi2WO6 Thin Films

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 in-depth study on the growth of BWO thin films and ferroelectric characterization, especially at the atomic scale, is still lacking. Here, we report pulsed laser deposition (PLD) of BWO thin films on (001) $SrTiO_3$ substrates and characterization of ferroelectricity using the scanning transmission electron microscopy (STEM) and piezoresponse force microscopy (PFM) techniques. We show that the background oxygen gas pressure used during PLD growth mainly determines the phase stability of BWO films, whereas the influence of growth temperature is comparatively minor. Atomically resolved STEM study of a fully strained BWO film revealed collective in-plane polar off-centering displacement of W atoms. We estimated the spontaneous polarization value based on polar displacement mapping to be about 54 $\pm$ 4 ${\mu}C cm^{-2}$, which is in good agreement with the bulk polarization value. Furthermore, we found that pristine film is composed of type-I and type-II domains, with mutually orthogonal polar axes. Complementary PFM measurements further elucidated that the coexisting type-I and type-II domains formed a multidomain state that consisted of 90$\deg$ domain walls (DWs) alongside multiple head-to-head and tail-to-tail 180$\deg$ DWs. Application of an electrical bias led to in-plane 180$\deg$ polarization switching and 90$\deg$ polarization rotation, highlighting a unique aspect of domain switching, which is immune to substrate-induced strain.

Evaluation of the ability of CFSv2 to forecast polar vortex displacements in the stratosphere of the Northern hemisphere

In this paper, the ability of the CFSv2 model to forecast the polar vortex displacements in the stratosphere of the Northern hemisphere is evaluated. We use the ERA-I reanalysis daily data of the potential vortex (pv) and the horizontal wind; vertical wind in the 430, 475, 530, and 600 K in the potential temperature field; and the temperature in the geopotential height at 50 hPa. And the 1–850 hPa isobaric surface temperature and u, v wind field daily data from the 9-month business forecast data of the Climate Forecast System Version 2 (CFSv2). The two polar vortex displacement events shift to Eurasia that occurred in Feb 2008 and Jan 2012. The results show that the polar vortex displacement events in February 2008 and January 2012 shifted toward the European region. During the polar vortex displacements, the westerly wind at 60°N latitude decreases, the temperature gradient reverses at the north polar and 60°N latitudes at 50 hPa, and a weaker stratospheric warming occurs in this process. For two of the polar vortex displacement events, the CFSv2 predictions of the start, largest, and end times of the polar vortex displacement are accurate at forecast lead times of 0 and 5 days, and the prediction results for the westerly winds and temperature gradients are also excellent. However, the CFSv2 prediction ability at forecast lead times exceeding 20 days is poor. For the polar vortex displacement event in February 2008, the CFSv2 predictions are good for the start and largest times but are not consistent with the actual situation for the end time at a forecast lead time of 10 days. The CFSv2 predictions are good for the end time but are not accurate for the start and largest times at a forecast lead time of 15 days. For the polar vortex displacement event in January 2012, the CFSv2 predictions are poor for the start, largest and end times and for the zonal wind, but are good for the temperature gradient during the displacement at forecast lead times of 10 days. The change in the polar vortex boundary and zonal wind and temperature gradients cannot be predicted at forecast lead times of 15 days.

Design and Performance Investigation of 3-Slot/2-Pole High Speed Permanent Magnet Machine

High-speed rotating mechanical machinery is a developed, mature and reliable technology for many engineering applications. In high-speed permanent magnet machines, the rotor's permanent magnet PM is not strong enough to withstand the centrifugal force resulting from excessive rotational speed; thus, the PM material must be protected by a non-magnetic alloy sleeve. This paper presents a novel high-speed PM machine with solid rotor PM covered by a titanium retaining sleeve. The rotor stress condition is simplified as a plane stress problem according to the strength measurement of solid PM rotors in the high-speed PM motors. The analytical formulas for rotor stress are presented based on the polar coordinate displacement method. The proposed model is compared with a conventional model having auxiliary slots in stator teeth. Using a finite element analysis environment, the performance analysis shows that the proposed design has reduced magnet eddy current loss, cogging torque, and iron losses. The initial design is also optimized using a deterministic optimization algorithm that increases output torque by 26% compared to the initial design.

Dzyaloshinskii-Moriya-like interaction in ferroelectrics and antiferroelectrics.

The Dzyaloshinskii-Moriya interaction (DMI) between two magnetic moments mi and mj is of the form [Formula: see text]. It originates from spin-orbit coupling, and is at the heart of fascinating phenomena involving non-collinear magnetism, such as magnetic topological defects (for example, skyrmions) as well as spin-orbit torques and magnetically driven ferroelectricity, that are of significant fundamental and technological interest. In sharp contrast, its electric counterpart, which is an electric DMI characterized by its [Formula: see text] strength and describing an interaction between two polar displacements ui and uj, has rarely been considered, despite the striking possibility that it could also generate new features associated with non-collinear patterns of electric dipoles. Here we report first-principles simulations combined with group theoretical symmetry analysis which not only demonstrate that electric DMI does exist and has a one-to-one correspondence with its magnetic analogue, but also reveals a physical source for it. These findings can be used to explain and/or design phenomena of possible technological importance in ferroelectrics and multiferroics.

Discovery of Real-Space Topological Ferroelectricity in Metallic Transition Metal Phosphides.

Ferroelectric metals-with coexisting ferroelectricity and structural asymmetry-challenge traditional perceptions because free electrons screen electrostatic forces between ions, the driving force of breaking the spatial inversion symmetry. Despite ferroelectric metals having been unveiled one after another, topologically switchable polar objects with metallicity have never been identified so far. Here, the discovery of real-space topological ferroelectricity in metallic and non-centrosymmetric Ni2 P is reported. Protected by the rotation-inversion symmetry operation, it is found that the balanced polarity of alternately stacked polyhedra couples intimately with elemental valence states, which are verified using quantitative electron energy-loss spectroscopy. First-principles calculations reveal that an applied in-plane compressive strain creates a tunable bilinear double-well potential and reverses the polyhedral polarity on a unit-cell scale. The dual roles of nickel cations, including polar displacement inside polyhedral cages and a 3D bonding network, facilitate the coexistence of topological polarity with metallicity. In addition, the switchable in-plane polyhedral polarity gives rise to a spin-orbit-coupling-induced spin texture with large momentum-dependent spin splitting. These findings point out a new direction for exploring valence-polarity-spin correlative interactions via topological ferroelectricity in metallic systems with structural asymmetry.

Adaptive dipolar correlation in ferroelectric x(Ba0.7Ca0.3)TiO3−(1−x)Ba(Zr0.2Ti0.8)O3

Deriving structure-property relationships for multicomponent ferroelectric materials has always been a challenging problem because the properties are mostly driven by subtle nanoscale correlations which are hard to detect. Here we have studied the famous Pb-free material $x({\mathrm{Ba}}_{0.7}{\mathrm{Ca}}_{0.3}){\mathrm{TiO}}_{3}\text{\ensuremath{-}}(1\ensuremath{-}x)\mathrm{Ba}({\mathrm{Zr}}_{0.2}{\mathrm{Ti}}_{0.8}){\mathrm{O}}_{3}$ $(x\mathrm{BCT}\text{\ensuremath{-}}\mathrm{BZT})$ which has been at the center of attention for approximately the last 10 years because of its unprecedented piezoelectric properties. However, the structure-property relationship for $x\mathrm{BCT}$-BZT remains elusive as neither the common concepts nor the experimental results lead to satisfactory models which can fully explain its unusual piezoelectric properties as a function of composition as well as recognize its uniqueness compared to other similar systems. Hence we have applied total neutron-scattering and Raman-scattering methods to examine the local structural correlations of $x\mathrm{BCT}$-BZT in the range $0.40\ensuremath{\le}x\ensuremath{\le}0.60$ at ambient conditions. By refining large-box atomistic models against the neutron pair distribution functions, we have observed an emerging coherence in the polar displacements of the cations at $x=0.50$, leading to an increased structural ergodicity at the key orthorhombic-tetragonal phase boundary. Given the very similar level of local structural disorder and spontaneous polarization found in the system with $x$, we propose that the abrupt amplification of piezoelectric properties in this material at a region of phase instability is a consequence of enhanced collaboration amongst the all cations in a strain-reduced local environment. It also indicates that the popular structure-property concept entailing a low-symmetry crystal structure cannot be a generic concept or a precondition.

Polar Nanodomains in a Ferroelectric Superconductor.

The mechanisms by which itinerant carriers compete with polar crystal distortions are a key unresolved issue for polar superconductors, which offer new routes to unconventional Cooper pairing. Strained, doped SrTiO3 films undergo successive ferroelectric and superconducting transitions, making them ideal candidates to elucidate the nature of this competition. Here, we reveal these interactions using scanning transmission electron microscopy studies of the evolution of polar nanodomains as a function of doping. These nanodomains are a precursor to the ferroelectric phase and a measure of long-range Coulomb interactions. With increasing doping, the magnitude of the polar displacements, the nanodomain size, and the Curie temperature are systematically suppressed. In addition, we show that disorder caused by the dopant atoms themselves presents a second contribution to the destabilization of the ferroelectric state. The results provide evidence for two distinct mechanisms that suppress the polar transition with doping in a ferroelectric superconductor.

Enhanced Spontaneous Polarization by V4+ Substitution in a Lead-Free Perovskite CaMnTi2O6.

Spontaneous polarization (Ps) of novel order-disorder type lead-free ferroelectric CaMnTi2O6 was successfully enhanced by partial V4+ substitution for Ti4+. A synchrotron X-ray diffraction study revealed that the polar displacement of octahedrally coordinated (Ti, V) in CaMn(Ti1-xVx)2O6 (0 ≤ x ≤ 0.4) increases with V4+ substitution having Jahn-Teller activity owing to the d1 electronic configuration. Our magnetic study suggested the presence of antisite disorder between Ca2+ and square planar coordinated Mn2+ associated with Mn-V intermetallic charge transfer for x ≥ 0.4, resulting in decreases in spontaneous polarization and the ferroelectric-paraelectric transition temperature. This is the first report on the enhanced polarization owing to the Jahn-Teller distortion of V4+ without stereochemical Pb2+ or Bi3+.

Electrical detection of ferroelectriclike metals through the nonlinear Hall effect

Ferroelectric-like metals are a relatively rare class of materials that have ferroelectric-like distortion and metallic conductivity. LiOsO$_3$ is the first demonstrated and the most investigated ferroelectric-like metal. The presence of free carriers makes them difficult to be studied by traditional ferroelectric techniques. In this paper, using the symmetry analysis and first-principles calculations, we demonstrate that the ferroelectric-like transition of LiOsO$_3$ can be probed by a kind of electrical transport method based on nonlinear Hall effect. The Berry curvature dipole exists in the ferroelectric-like phase, and it can lead to a measurable nonlinear Hall conductance with a conventional experimental setup. However, the symmetry of the paraelectric-like phase LiOsO$_3$ vanishes the Berry curvature dipole. The Berry curvature dipole shows a strong dependence on the polar displacement, which might be helpful for the detection of polar order. The nonlinear Hall effect provides an effective method for the detection of phase transition in the study of the ferroelectric-like metals and promotes them to be applied in the ferroelectric-like electronic devices.

Direct Observation of Large Atomic Polar Displacements in Epitaxial Barium Titanate Thin Films

AbstractThe development of ferroelectric perovskite oxides having a controlled polarization direction is an ongoing and challenging topic of research. Here direct observation of large atomic polar displacements, which correspond to a polar density of ≈0.9 C m−2 pointing upward, in an epitaxial BaTiO3 film grown by molecular beam epitaxy on a SrTiO3 substrate is reported. Aberration‐corrected scanning transmission electron microscopy is used to map the polarization displacement with unit‐cell resolution. Oxygen vacancies and other types of defects are examined and mapped using electron energy‐loss near‐edge structure analysis. The contributions from strain, strain gradient, and defects are quantitatively modeled in order to explain the large polarization. Calculations show that strain (through a defect dipole‐enhanced polarization) creates the large atomic polar displacements, and strain gradient (through inverse Vegard electrochemical strain effect) compensates the polarization. These two effects may explain the preferred polarization direction and the anomalous flexoelectric effect in ferroelectric thin films.

Tuning the temperature-induced local-dipole coupling in (1−x)Na0.5Bi0.5TiO3-xBaTiO3 via electric field

In situ temperature-dependent Raman-scattering experiments under an external dc electric field E have been performed on (1−x)Na0.5Bi0.5TiO3-xBaTiO3 single crystals with x ranging from 0.013 to 0.074 in order to gain further insights into the atomistic mechanism of polar coupling in lead-free perovskite-type (ABO3) ferroelectric solid solutions near the morphotropic phase boundary (MPB). The polarized Raman spectra collected between 770 and 100 K under an E applied along the pseudocubic [100] direction were analyzed in terms of hard-mode spectroscopy. The results reveal enhanced coupling between the polar displacements of the A-site Bi3+ and B-site Ti4+ cations for x=0.048∼xMPB when a moderate E[100] field is applied, a local-scale phenomenon that might be responsible for the known drift of the MPB under external stimuli. In addition, for all studied compounds, the characteristic temperatures TA−A′ and TA−A′′, preceding the macroscopic Tm and Td and related to mesoscopic-scale antiferroelectric and ferroelectric coupling processes within the A-site-cation subsystem in a zero field, merge into one even under a weak electric field, suggesting that the structural state between the paraelectric and ferroelectric zones in the x-T diagram is weak ferrielectric.

Tuning ferroelectricity by manipulating the global and local structure in a lead-free Sr-doped Ba(Ti1-x Snx)O3ceramics

The effect of 5% Sr substitution at the Ba site in Ba(Ti1-x Snx)O3 (BTSnx) system is investigated for , 0.075, and 0.12 compositions. The phase transition studies were carried out using dielectric, high-resolution X-ray diffraction, and PE hysteresis loop measurements. Rietveld refinements, along with dielectric studies on strontium-doped BTSnx reveal that the inter-ferroelectric phase boundaries observed in pure BaTiO3 approach the Tc line, with morphotropic phase boundary like behaviour. The PE hysteresis loops show enhanced polarization (≈ 190%) in Sr-doped BTSn5, which is attributed to the inter-ferroelectric phase instability (which facilitates polarization rotation, phase boundary motion, and domain wall motion), enhanced tetragonality (c/a), and increased unit-cell polarization evident from the amplitude of frozen phonon mode corresponding to the zone center of the cubic Brillouin zone. The ferroelectric polarization observed in the average-cubic-structure state of Sr-doped BTSn12 is attributed to the cooperative polar off-centre displacements of A (Ba2+/Sr2+) and B (Ti4+/Sn4+) site cations along and directions, respectively. Further, Sr-doped BTSn12 has high dielectric constant and low loss which makes this material an important composition for various technological applications.

Crystallographic snapshots of TsrM, a radical S‐adenosylmethionine enzyme whose reaction is not so radical

TsrM methylates C2 of the indole ring of L‐tryptophan (Trp) as the first step in the biosynthesis of the quinaldic acid moiety of thiostrepton, a ribosomally synthesized and post‐translationally modified thiazolyl peptide natural product that exhibits potent in vitro activity against many Gram‐positive bacteria of urgent clinical relevance. TsrM is annotated as a member of the radical S‐adenosylmethionine (SAM) superfamily and exhibits hallmarks of these enzymes, such as a [4Fe–4S] cluster ligated by cysteines residing in a CxxxCxxC motif and a binding site for S‐adenosylmethionine. However, unlike all other characterized members of the radical SAM (RS) superfamily, TsrM does not catalyze a reductive cleavage of SAM to the almost universal 5′‐deoxyadenosyl 5′‐radical intermediate. Instead, recent studies suggest that it catalyzes its reaction via two polar SN2 displacements, an attack on the methyl group of SAM by a cob(I)alamin species and a subsequent attack of C2 of Trp onto methylcobalamin. Herein we report the first crystal structures of a class B RS methylase. The structure contains both the cobalamin and [4Fe‐4S] cluster cofactors bound and show the presence of unique ligands to each. We additionally have solved a structure with substrate analogs bound, which reveals a novel active site, suggesting that TsrM is only masquerading as a radical SAM enzyme.

Polarization Screening Mechanisms at La0.7Sr0.3MnO3-PbTiO3 Interfaces.

The structural, electronic, and magnetic properties of interfaces between epitaxial La0.7Sr0.3MnO3 and PbTiO3 have been explored via atomic resolution transmission electron microscopy of a functional multiferroic tunnel junction. Measurements of the polar displacements and octahedral tilting show the competition between the two distortions at the interface and demonstrate strong dependence on the polarization orientation. The density functional theory provides information on the electronic and magnetic properties, where the interface termination plays a crucial role in the screening mechanisms.

Design of a multifunctional polar metal via first-principles high-throughput structure screening

Intrinsic polar metals are rare, especially in oxides, because free electrons screen electric fields in a metal and eliminate the internal dipoles that are needed to break inversion symmetry. Here we use first-principles high-throughput structure screening to predict a new polar metal in bulk and thin film forms. After screening more than 1000 different crystal structures, we find that ordered BiPbTi2O6 can crystallize in three polar and metallic structures, which can be transformed between via pressure or strain. In a heterostructure of layered BiPbTi2O6 and PbTiO3, multiple states with different relative orientations of BiPbTi2O6 polar displacements, and PbTiO3 polarization, can be stabilized. At room temperature, the interfacial coupling enables electric fields to first switch PbTiO3 polarization and subsequently drive 180° change of BiPbTi2O6 polar displacements. At low temperatures, the heterostructure provides a tunable tunnelling barrier and might be used in multi-state memory devices.

Spin Hall effect in prototype Rashba ferroelectrics GeTe and SnTe

Ferroelectric Rashba semiconductors (FERSCs) have recently emerged as a promising class of spintronics materials. The peculiar coupling between spin and polar degrees of freedom responsible for several exceptional properties, including ferroelectric switching of Rashba spin texture, suggests that the electron’s spin could be controlled by using only electric fields. In this regard, recent experimental studies revealing charge-to-spin interconversion phenomena in two prototypical FERSCs, GeTe and SnTe, appear extremely relevant. Here, by employing density functional theory calculations, we investigate spin Hall effect (SHE) in these materials and show that it can be large either in ferroelectric or paraelectric structure. We further explore the compatibility between doping required for the practical realization of SHE in semiconductors and polar distortions which determine Rashba-related phenomena in FERSCs, but which could be suppressed by free charge carriers. Based on the analysis of the lone pairs which drive ferroelectricity in these materials, we have found that the polar displacements in GeTe can be sustained up to a critical hole concentration of over ~1021/cm3, while the tiny distortions in SnTe vanish at a minimal level of doping. Finally, we have estimated spin Hall angles for doped structures and demonstrated that the spin Hall effect could be indeed achieved in a polar phase. We believe that the confirmation of spin Hall effect, Rashba spin textures and ferroelectricity coexisting in one material will be helpful for design of novel all-in-one spintronics devices operating without magnetic fields.

Influence of the stratospheric polar vortex on the Barents Sea ice extent in early 2012

A significant decrease in the sea ice extent in the Barents Sea was observed in February 2012 due to a large increase in Arctic surface temperature. In early January 2012 a sudden stratospheric warming occurred simultaneously with a stratospheric polar vortex displacement. Based on the ERA-Interim reanalysis data, we show that the displacement of the stratospheric polar vortex led to a perturbation and splitting of the tropospheric polar vortex. An inflow of warm air masses into the polar region, mainly over the Barents Sea, occurred during the splitting of the tropospheric vortex, which resulted in an increase in Arctic surface temperature and a decrease in the sea ice extent.

Correlated Lattice Instability and Emergent Charged Domain Walls at Oxide Heterointerfaces

AbstractCharged domain walls provide possibilities in effectively manipulating electrons at nanoscales for developing next‐generation electronic devices. Here, using the atom‐resolved imaging and spectroscopy on LaAlO3/SrTiO3//NdGaO3 heterostructures, the evolution of correlated lattice instability and charged domain walls is visualized crossing the conducting LaAlO3/SrTiO3 heterointerface. When increasing the SrTiO3 layer thickness to 20 unit cells and above, both LaAlO3 and SrTiO3 layers begin to exhibit measurable polar displacements to form a tail‐to‐tail charged domain wall at the LaAlO3/SrTiO3 interface, resulting in the charged redistribution within the 2‐nm‐thick SrTiO3 layer close to the LaAlO3/SrTiO3 interface. The mobile charges in different heterostructures can be estimated by summing up Ti3+ concentrations in the conducting channel, which is sandwiched by SrTiO3 layers with interdiffusion and/or oxygen octahedral rotations. Those estimated mobile charges are quantitatively consistent with results from Hall measurements. The results not only shed light on complex oxide heterointerfaces, but also pave a new path to nanoscale charge engineering.