Theory for Charge Density Wave and Orbital-Flux State in Antiferromagnetic Kagome Metal FeGe

We theoretically study the charge order and orbital magnetic properties of a new type of antiferromagnetic kagome metal FeGe.Based on first-principles density functional theory calculations,we study the electronic structures,Fermi-surface quantum fluctuations,as well as phonon properties of the antiferromagnetic kagome metal FeGe.It is found that charge density wave emerges in such a system due to a subtle cooperation between electron-electron interactions and electron–phonon couplings,which gives rise to an unusual scenario of interaction-triggered phonon instabilities,and eventually yields a charge density wave(CDW)state.We further show that,in the CDW phase,the ground-state current density distribution exhibits an intriguing star-of-David pattern,leading to flux density modulation.The orbital fluxes(or current loops)in this system emerge as a result of the subtle interplay between magnetism,lattice geometries,charge order,and spin-orbit coupling(SOC),which can be described by a simple,yet universal,tight-binding theory including a Kane-Mele-type SOC term and a magnetic exchange interaction.We further study the origin of the peculiar step-edge states in FeGe,which sheds light on the topological properties and correlation effects in this new type of kagome antiferromagnetic material.

Generation of orbital angular momentum hologram using a modified U-net

Orbital angular momentum(OAM)holography has become a promising technique in information encryption,data storage and opto-electronic computing,owing to the infinite topological charge of one single OAM mode and the orthogonality of different OAM modes.In this paper,we propose a novel OAM hologram generation method based on a densely connected U-net(DCU),where the densely connected convolution blocks(DCB)replace the convolution blocks of the U-net.Importantly,the reconstruction process of the OAM hologram is integrated into DCU as its output layer,so as to eliminate the requirement to prepare training data for the OAM hologram,which is required by conventional neural networks through an iterative algorithm.The experimental and simulation results show that the OAM hologram can rapidly be generated with the well-trained DCU,and the reconstructed image's quality from the generated OAM hologram is significantly improved in comparison with those from the Gerchberg-Saxton generation method,the Gerchberg-Saxton based generation method and the U-net method.In addition,a 10-bit OAM multiplexing hologram scheme is numerically demonstrated to have a high capacity with OAM hologram.

Dynamic properties of the magnetic skyrmion driven by electromagnetic waves with spin angular momentum and orbital angular momentum

We theoretically studied the dynamic properties of the skyrmion driven by electromagnetic(EM)waves with spin angular momentum(SAM)and orbital angular momentum(OAM)using micromagnetic simulations.First,the guiding centers of the skyrmion driven by EM waves with SAM,i.e.,left-handed and right-handed circularly polarized EM waves,present circular trajectories,while present elliptical trajectories under linear EM waves driving due to the superposition of oppositely polarized wave components.Second,the trajectories of the skyrmion driven by EM waves with OAM demonstrate similar behavior to that driven by linearly polarized EM waves.Because the wave vector intensity varies with the phase for both linearly polarized EM waves and EM waves with OAM,the angular momentum is transferred to the skyrmion non-uniformly,while the angular momentum is transferred to the skyrmion uniformly for left-handed and right-handed circularly polarized EM driving.Third,the dynamic properties of the skyrmion driven by EM waves with both SAM and OAM are investigated.It is found that the dynamic trajectories exhibit more complex behavior due to the contributions or competition of SAM and OAM.We investigate the characteristics of intrinsic gyration modes and frequency-dependent trajectories.Our research may provide insight into the dynamic properties of skyrmion manipulated by EM waves with SAM or OAM and provide a method for controlling skyrmion in spintronic devices.

Orbital-Ordering Driven Simultaneous Tunability of Magnetism and Electric Polarization in Strained Monolayer VCl_(3)

Two-dimensional(2D)van der Waals magnetic materials have promising and versatile electronic and magnetic properties in the 2D limit,indicating a considerable potential to advance spintronic applications.Theoretical predictions thus far have not ascertained whether monolayer VCl_(3) is a ferromagnetic(FM)or anti-FM monolayer;this also remains to be experimentally verified.We theoretically investigate the influence of potential factors,including C_(3) symmetry breaking,orbital ordering,epitaxial strain,and charge doping,on the magnetic ground state.Utilizing first-principles calculations,we predict a collinear type-Ⅲ FM ground state in monolayer VCl_(3) with a broken C_(3) symmetry,wherein only the former two of three t_(2g)orbitals(a_(1g),e_(g2)^(π)and e_(g1)^(π))are occupied.The atomic layer thickness and bond angles of monolayer VCl_(3) undergo abrupt changes driven by an orbital ordering switch,resulting in concomitant structural and magnetic phase transitions.Introducing doping to the underlying Cl atoms of monolayer VCl_(3) without C_(3) symmetry simultaneously induces in-and out-of-plane polarizations.This can achieve a multiferroic phase transition if combined with the discovered adjustments of magnetic ground state and polarization magnitude under strain.The establishment of an orbital-ordering driven regulatory mechanism can facilitate deeper exploration and comprehension of magnetic properties of strongly correlated systems in monolayer VCl_(3).

Designing Electronic Structures of Multiscale Helical Converters for Tailored Ultrabroad Electromagnetic Absorption

Atomic-scale doping strategies and structure design play pivotal roles in tailoring the electronic structure and physicochemical property of electromagnetic wave absorption(EMWA)materials.However,the relationship between configuration and electromagnetic(EM)loss mechanism has remained elusive.Herein,drawing inspiration from the DNA transcription process,we report the successful synthesis of novel in situ Mn/N co-doped helical carbon nanotubes with ultrabroad EMWA capability.Theoretical calculation and EM simulation confirm that the orbital coupling and spin polarization of the Mn–N4–C configuration,along with cross polarization generated by the helical structure,endow the helical converters with enhanced EM loss.As a result,HMC-8 demonstrates outstanding EMWA performance,achieving a minimum reflection loss of−63.13 dB at an ultralow thickness of 1.29 mm.Through precise tuning of the graphite domain size,HMC-7 achieves an effective absorption bandwidth(EAB)of 6.08 GHz at 2.02 mm thickness.Furthermore,constructing macroscale gradient metamaterials enables an ultrabroadband EAB of 12.16 GHz at a thickness of only 5.00 mm,with the maximum radar cross section reduction value reaching 36.4 dB m2.This innovative approach not only advances the understanding of metal–nonmetal co-doping but also realizes broadband EMWA,thus contributing to the development of EMWA mechanisms and applications.

人工智能助力:Orbital Materials公司加速清洁技术材料的开发

随着全球对环境保护意识的增强,探寻能够有效减少碳排放并促进可持续发展的新材料成为了科研领域的热点。一家成立于2022年的初创公司Orbital Materials,正利用人工智能(AI)技术在这一领域取得突破。

Guidelines for standard operation of imaging modalities in orbital diseases (2024)

Orbital disorders include conditions originating from the orbital bones,surrounding tissues,and post-orbital septum.They also include systemic ailments affecting the orbit.Different clinical symptoms make up the complex range of orbital disorders.Because these disorders mostly impact the orbital area instead of the intraocular compartment,there is little diagnostic usefulness for typical ophthalmic visual tests.As such,the vital instruments for diagnosing and evaluating orbital illnesses have become ophthalmic imaging modalities,including ocular ultrasonography(B-scan),computed tomography(CT),and magnetic resonance imaging(MRI).One way to improve the precision and promptness of diagnosing orbital diseases is to standardize the functioning of widely used imaging equipment and define the radiological features of orbital abnormalities.Such programs are crucial for the care of patients with orbital disorders since they considerably reduce the number of misdiagnoses and missed diagnoses in these individuals.The underlying concepts,operational techniques,and normal and pathological imaging findings associated with common diagnostic tools for orbital illnesses are all thoroughly reviewed in this guideline.The objective is to improve primary healthcare settings’diagnostic competence in the field of orbital pathology and to standardize procedures for diagnosing orbital disorders.

Diffraction deep neural network based orbital angular momentum mode recognition scheme in oceanic turbulence

Orbital angular momentum(OAM)has the characteristics of mutual orthogonality between modes,and has been applied to underwater wireless optical communication(UWOC)systems to increase the channel capacity.In this work,we propose a diffractive deep neural network(DDNN)based OAM mode recognition scheme,where the DDNN is trained to capture the features of the intensity distribution of the OAM modes and output the corresponding azimuthal indices and radial indices.The results show that the proposed scheme can recognize the azimuthal indices and radial indices of the OAM modes accurately and quickly.In addition,the proposed scheme can resist weak oceanic turbulence(OT),and exhibit excellent ability to recognize OAM modes in a strong OT environment.The DDNN-based OAM mode recognition scheme has potential applications in UWOC systems.

Modeling and simulations of orbital capture with space tether-net system

A new flexible tether-net space robotic system used to capture space debris is presented in this paper. With a mass point assumption, a dynamic model of the tether-net system was established in orbital frame by applying Lagrange Equations. In order to investigate the net in-plane trajectories after being cast, the non-controlled R-bar and V-bar captures were simulated with ignoring the out-of-plane libration, and the effect of in-plane libration on the trajectories of the capture net was demonstrated by simulation results. With an effort to damp the in-plane libration, the control scheme based on tether tension was investigated, then an integrated control scheme was proposed by introducing thrusters into the system, and the nonlinear close-loop dynamics was linearised by feedforward strategy. Simulation results show that the feedforward controller is effective for in-plane libration damping and enables the capture net to track an expected trajectory.

Advanced all-optical classification using orbitalangular-momentum-encoded diffractive networks

As a successful case of combining deep learning with photonics,the research on optical machine learning has recently undergone rapid development.Among various optical classification frameworks,diffractive networks have been shown to have unique advantages in all-optical reasoning.As an important property of light,the orbital angular momentum(OAM)of light shows orthogonality and mode-infinity,which can enhance the ability of parallel classification in information processing.However,there have been few all-optical diffractive networks under the OAM mode encoding.Here,we report a strategy of OAM-encoded diffractive deep neural network(OAM-encoded D2NN)that encodes the spatial information of objects into the OAM spectrum of the diffracted light to perform all-optical object classification.We demonstrated three different OAM-encoded D2NNs to realize(1)single detector OAM-encoded D2NN for single task classification,(2)single detector OAM-encoded D2NN for multitask classification,and(3)multidetector OAM-encoded D2NN for repeatable multitask classification.We provide a feasible way to improve the performance of all-optical object classification and open up promising research directions for D2NN by proposing OAMencoded D2NN.

Accelerating Oxygen Electrocatalysis Kinetics on Metal-Organic Frameworks via Bond Length Optimization

Metal-organic frameworks(MOFs)have been developed as an ideal platform for exploration of the relationship between intrinsic structure and catalytic activity,but the limited catalytic activity and stability has hampered their practical use in water splitting.Herein,we develop a bond length adjustment strategy for optimizing naphthalene-based MOFs that synthesized by acid etching Co-naphthalenedicarboxylic acid-based MOFs(donated as AE-CoNDA)to serve as efficient catalyst for water splitting.AE-CoNDA exhibits a low overpotential of 260 mV to reach 10 mA cm^(−2)and a small Tafel slope of 62 mV dec^(−1)with excellent stability over 100 h.After integrated AE-CoNDA onto BiVO_(4),photocurrent density of 4.3 mA cm^(−2)is achieved at 1.23 V.Experimental investigations demonstrate that the stretched Co-O bond length was found to optimize the orbitals hybridization of Co 3d and O 2p,which accounts for the fast kinetics and high activity.Theoretical calculations reveal that the stretched Co-O bond length strengthens the adsorption of oxygen-contained intermediates at the Co active sites for highly efficient water splitting.

Manipulating d-d orbital hybridization induced by Mo-doped Co_(9)S_(8) nanorod arrays for high-efficiency water electrolysis

Precisely refining the electronic structure of electrocatalysts represents a powerful approach to further optimize the electrocatalytic performance.Herein,we demonstrate an ingenious d-d orbital hybridization concept to construct Mo-doped Co_(9)S_(8) nanorod arrays aligned on carbon cloth(CC)substrate(abbreviated as Mo-Co_(9)S_(8)@CC hereafter)as a high-efficiency bifunctional electrocatalyst toward water electrolysis.It has experimentally and theoretically validated that the 4d-3d orbital coupling between Mo dopant and Co site can effectively optimize the H_(2)O activation energy and lower H^(*)adsorption energy barrier,thereby leading to enhanced hydrogen evolution reaction(HER)and oxygen evolution reaction(OER)activities.Thanks to the unique electronic and geometrical advantages,the optimized Mo-Co_(9)S_(8)@CC with appropriate Mo content exhibits outstanding bifunctional performance in alkaline solution,with the overpotentials of 75 and 234 mV for the delivery of a current density of 10 mA cm^(-2),small Tafel slopes of 53.8 and 39.9 mV dec~(-1)and long-term stabilities for at least 32 and 30 h for HER and OER,respectively.More impressively,a water splitting electrolylzer assembled by the self-supported Mo-Co_(9)S_(8)@CC electrode requires a low cell voltage of 1.53 V at 10 mA cm^(-2)and shows excellent stability and splendid reversibility,demonstrating a huge potential for affordable and scalable electrochemical H_(2) production.The innovational orbital hybridization strategy for electronic regulation herein provides an inspirable avenue for developing progressive electrocatalysts toward new energy systems.

p-d Orbital Hybridization Engineered Single-Atom Catalyst for Electrocatalytic Ammonia Synthesis

The rational design of metal single-atom catalysts(SACs)for electrochemical nitrogen reduction reaction(NRR)is challenging.Two-dimensional metal-organic frameworks(2DMOFs)is a unique class of promising SACs.Up to now,the roles of individual metals,coordination atoms,and their synergy effect on the electroanalytic performance remain unclear.Therefore,in this work,a series of 2DMOFs with different metals and coordinating atoms are systematically investigated as electrocatalysts for ammonia synthesis using density functional theory calculations.For a specific metal,a proper metal-intermediate atoms p-d orbital hybridization interaction strength is found to be a key indicator for their NRR catalytic activities.The hybridization interaction strength can be quantitatively described with the p-/d-band center energy difference(Δd-p),which is found to be a sufficient descriptor for both the p-d hybridization strength and the NRR performance.The maximum free energy change(ΔG_(max))andΔd-p have a volcanic relationship with OsC_(4)(Se)_(4)located at the apex of the volcanic curve,showing the best NRR performance.The asymmetrical coordination environment could regulate the band structure subtly in terms of band overlap and positions.This work may shed new light on the application of orbital engineering in electrocatalytic NRR activity and especially promotes the rational design for SACs.

Orbital magnetization in semiconductors

This paper theoretically investigates the orbital magnetization of electron-doped （n-type） semiconductor het-erostructures and of hole-doped （p-type） bulk semiconductors, which are respectively described by a two-dimensional electron/hole Hamiltonian with both the included Rashba spin-orbit coupling and Zeeman splitting terms. It is the Zeeman splitting, rather than the Rashba spin-orbit coupling, that destroys the time-reversal symmetry of the semiconductor systems and results in nontrivial orbital magnetization. The results show that the magnitude of the orbital magnetization per hole and the Hall conductance in the p-type bulk semiconductors are about 10^-2-10^-1 effective Bohr magneton and 10^-1-1 e^2/h, respectively. However, the orbital magnetization per electron and the Hall conductance in the n-type semiconductor heterostructures are too small to be easily observed in experiment.

Effects of anharmonic lattice distortion on orbital and magnetic orderings in KCuF_3

Lattice, magnetic and orbital structures in KCuF3 are self-consistently determined by our cluster self-consistent field approach based on a spin-orbital-lattice Hamiltonian. Two stable structures are obtained and found to be degenerate, which confirms the presence of the coexistent phases observed experimentally. We clearly show that due to the inherent frustration, the ground state of the system only with the superexchange interaction is degenerate; while the Jahn-Teller distortion, especially the anharmonic effect, stabilizes the orbital ordered phase at about 23% in the x2-y2 orbit and at 77% in the 3z2-r2 orbit. Meanwhile the magnetic moment of Cu is considerably reduced to 0.56μB, and magnetic coupling strengths are highly anisotropic, Jx/Jxy ≈ 18. These results are in good agreement with the experiments, implying that the anharmonic Jahn-Teller effect plays an essential role in stabilising the orbital ordered ground state of KCuF3.

Orbital Dilution Effect on Structural and Magnetic Properties of Fe1-xMnxV2O4

Structural and magnetic properties are investigated for Fe1-xMnxV2O4 （0≤ x ≤ 1） spinels. As orbital-active Fe^2＋ is substituted with Mn^2＋, the cubie-to-tetragonM transition TsI and the tetragonal-to-orthorhombic transition Ts2 gradually decrease. These structural transitions originate from the Fe^2＋ ferro-orbital order （F-OO）. Below Yafet-Kittel （YK） magnetic transition TN2, V^3＋ orbital order （V-OO） plays an important role on global structure. Here x = 0.6 is a critical point. Fe^2＋ F-OO and V^3＋ F-OO coexist for 0 ≤ x ≤ 0.5. For x≥ 0.6, the orbital pattern of V^3＋ is antiferro （AF）-00, and Fe^2＋ F-OO disappears. Structural transition Ts3, accompanied by YK magnetic transition TN2, decreases initially, and then increases at x = 0.6. A scenario for the complex phase diagram arising from the cooperation or competition of Fe^2＋ and V^3＋ orbitals is proposed.

Orbital torque of Cr-induced magnetization switching in perpendicularly magnetized Pt/Co/Pt/Cr heterostructures

The spin–orbit torque via the spin Hall effect of heavy metals has shown promising prospect in driving the magnetization switching in spintronic devices due to the generated spin current from heavy metals.Recently,the 3d-light metals have been predicted the ability to generate orbital current and the associated orbital torques from the orbital Hall effect.However,few experiments have been carried out since it is quite hard to directly detect the orbital current-generated orbital torque.Here,we report an effective method to demonstrate the strong orbital torques in light metal Cr through a conversion process from orbital current to spin current by introducing the Pt interfacial layer in perpendicularly magnetized symmetric Pt/Co/Pt structures.A quite large and monotonically growth of orbital torque efficiency in Pt/Co/Pt/Cr with the increase of the thickness of Cr layer is obtained with the largest effective orbital torque efficiency around 2.6 Oe/(MA·cm^(-2))(1 Oe=79.5775 A·m^(-1)).The ability of orbital torque to drive the magnetization switching is also reported with the critical switching current density down to the order of 106A·cm^(-2).Our findings prove the efficiency for switching the magnetization from light metal Cr layers through the orbital Hall effect.

Fast solution to the free return orbit's reachable domain of the manned lunar mission by deep neural network

It is important to calculate the reachable domain(RD)of the manned lunar mission to evaluate whether a lunar landing site could be reached by the spacecraft. In this paper, the RD of free return orbits is quickly evaluated and calculated via the classification and regression neural networks. An efficient databasegeneration method is developed for obtaining eight types of free return orbits and then the RD is defined by the orbit’s inclination and right ascension of ascending node(RAAN) at the perilune. A classify neural network and a regression network are trained respectively. The former is built for classifying the type of the RD, and the latter is built for calculating the inclination and RAAN of the RD. The simulation results show that two neural networks are well trained. The classification model has an accuracy of more than 99% and the mean square error of the regression model is less than 0.01°on the test set. Moreover, a serial strategy is proposed to combine the two surrogate models and a recognition tool is built to evaluate whether a lunar site could be reached. The proposed deep learning method shows the superiority in computation efficiency compared with the traditional double two-body model.

Spin and Orbital Magnetisms of NiFe Compound:Density Functional Theory Study and Monte Carlo Simulation

The self-consistent ab initio calculations based on the density functional theory approach using the full potential linear augmented plane wave method are performed to investigate both the electronic and magnetic properties of the NiFe compound. Polarized spin within the framework of the ferromagnetic state between magnetic ions is considered. Also, magnetic moments considered to lie along （001） axes are computed. The Monte Carlo simulation is used to study the magnetic properties of NiFe. The transition temperature To, hysteresis loop, coercive field and remanent magnetization of the NiFe compound are obtained using the Monte Carlo simulation.

A case of unsuspected trans-orbital-cranial penetrating injury by a wooden chopstick in a one-year-old infant

Dear Editor,Transorbital penetrating injury is one emergency faced by ophthalmologists during primary care that requires special attention because it can lead to serious ophthalmic and neurological sequela.Of all head injuries, intracranial penetrating injuries occur at a low rate of 0.4%[1], and transorbital-cranial penetrating injuries are even more rare, but do occur more frequently in young children than in adults[2-3].