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Highlights The energy conversion mechanism is thoroughly analyzed, with a detailed quantitative characterization of the dissipation capacities of polarization, conduction, and magnetic loss. Inspired by DNA transcription, atom and geometry configurations co-modulating multi-scale helical converters achieve the RL min of −63.13 dB at 1.29 mm, and the maximum RCS reduction value reach 36.4 dB m2. Orbital coupling, spin and cross polarization synergize to realize a 6.08 GHz EAB, further expanding to ultrabroad electromagnetic wave absorption of 12.16 GHz through metamaterial design.

Spin defects in semiconductors are attracting interest as a material basis for quantum information and computing technologies. In this work, the spin properties of negatively charged nitrogen-vacancy (NV−) centers in a 6H-SiC silicon carbide crystal enriched with the 28 Si isotope were studied by high-frequency (94 GHz) electron paramagnetic resonance (EPR) methods. Due to an optical excitation channel at the NV− centers, it was possible to initialize the electron spin of the defect using a laser source, which led to a significant increase in the intensity of the recorded EPR signal. The dependences of the observed spin polarization were analyzed at different optical excitation wavelengths (λ = 640 – 1064 nm), output power (0 – 500 mW), and temperature (50 – 300 K) of the crystal. The results obtained reveal the optimal experimental conditions for maximizing the efficiency of optical quantum energy transfer to the spin system. This opens up new possibilities for using NV− centers in 6H-SiC to create multi-qubit spin-photon interfaces operating in the infrared region.

In this study, the structural, electronic and optical characteristics of Platinum (Pt)-doped cubic BaTiO 3 perovskite were inspected via density functional theory (DFT) calculations. Generalized gradient approximation (GGA) and Pedraw–Wang 91 (PW91) functional, as applied in CASTEP code, provide an atomic level understanding of the influence of substituting 0.125 Pt dopant at Ba and Ti positions. Results indicate that the optimized lattice parameters and band gap are in good agreement with the experimental and theoretical data. Furthermore, the total and projected density of states (TPDOSs) analysis demonstrates that Pt–dopant integration has an impact on diminishing the band gap and shifting the absorption spectra towards the visible light region. Thus, it is suggested that substituting Ti and Ba atoms with Pt would enhance the optoelectronic characteristics of the host system, due to existing Pt–5d electronic states. Moreover, the negative formation energy values indicate the thermodynamic stability of the modeled configurations. These detailed results provide valuable insights into the physical properties of Pt–BaTiO 3 and its behavior across a range of photon wavelengths. To our knowledge, this contribution evaluates for the first time the influence of introducing platinum (Pt) into a BaTiO 3 perovskite system. The overall findings demonstrate a valuable appraisal of support for experimental synthesis of Pt–BaTiO 3 to serve in various optoelectronic devices.

Abstract Spin‐transfer torque (STT) and spin‐orbit torque (SOT) form the core of spintronics, allowing for the control of magnetization through electric currents. While the sign of SOT can be manipulated through material and structural engineering, it is conventionally understood that STT lacks a degree of freedom in its sign. However, this study presents the first demonstration of manipulating the STT sign by engineering heavy metals adjacent to magnetic materials in magnetic heterostructures. Spin torques are quantified through magnetic domain‐wall speed measurements, and subsequently, both STT and SOT are systematically extracted from these measurements. The results unequivocally show that the sign of STT can be either positive or negative, depending on the materials adjacent to the magnetic layers. Specifically, Pd/Co/Pd films exhibit positive STT, while Pt/Co/Pt films manifest negative STT. First‐principle calculations further confirm that the sign reversal of STT originates from the sign reversal of spin polarization of conduction electrons.

The global spin alignment of the vector meson has been observed in relativistic heavy ion collisions, but its theoretical origin is still on hot debates. Here we propose to apply the light front framework to explain this phenomenon since the light front form explicitly describes the hadron spin including both the quark spin and the orbital angular momentum. After applying the light front spinor, we find that the spin alignment in the polarization of vector mesons with ρ00>1/3 can be naturally manifested and in particular, the obtained spin alignment for ϕ meson is in good agreement with the experimental data. This implies that to explain the spin alignment it is important to properly include the contribution from the gluon interactions that are presented in terms of the orbital angular momentum of the hadron bound state.

The ubiquity of refractory organic matter in aquatic environments necessitates innovative removal strategies. Sulfate radical-based advanced oxidation has emerged as an attractive solution, offering high selectivity, enduring efficacy, and anti-interference ability. Among many technologies, sulfite activation, leveraging its cost-effectiveness and lower toxicity compared to conventional persulfates, stands out. Yet, the activation process often relies on transition metals, suffering from low atom utilization. Here we introduce a series of single-atom catalysts (SACs) employing transition metals on g-C3N4 substrates, effectively activating sulfite for acetaminophen degradation. We highlight the superior performance of Fe/CN, which demonstrates a degradation rate constant significantly surpassing those of Ni/CN and Cu/CN. Our investigation into the electronic and spin polarization characteristics of these catalysts reveals their critical role in catalytic efficiency, with oxysulfur radical-mediated reactions predominating. Notably, under visible light, the catalytic activity is enhanced, attributed to an increased generation of oxysulfur radicals and a strengthened electron donation-back donation dynamic. The proximity of Fe/CN's d-band center to the Fermi level, alongside its high spin polarization, is shown to improve sulfite adsorption and reduce the HOMO-LUMO gap, thereby accelerating photo-assisted sulfite activation. This work advances the understanding of SACs in environmental applications and lays the groundwork for future water treatment technologies.

Highlights Compared with the traditional single-atom catalysts (SACs), the Mg SACs with axial displacement is accurately fabricated on the functional carbon nanotubes. The electronic spin polarization modulates the spin density of MgPc, facilitating the LiPSs conversion kinetics in Li-S batteries. The MgPc@FCNT achieves ultra-low capacity decay rate under the high sulfur loading.

Nanoscale-engineered surfaces induce regulated strain in atomic layers of 2D materials that could be useful for unprecedented photonics applications and for storing and processing quantum information. Nevertheless, these strained structures need to be investigated extensively. Here, we present texture-induced strain distribution in single-layer WS2 (1L-WS2) transferred over Si/SiO2 (285 nm) substrate. The detailed nanoscale landscapes and their optical detection are carried out through Atomic Force Microscopy, Scanning Electron Microscopy, and optical spectroscopy. Remarkable differences have been observed in the WS2 sheet localized in the confined well and at the periphery of the cylindrical geometry of the capped engineered surface. Raman spectroscopy independently maps the whole landscape of the samples, and temperature-dependent helicity-resolved photoluminescence (PL) experiments (off-resonance excitation) show that suspended areas sustain circular polarization from 150 K up to 300 K, in contrast to supported (on un-patterned area of Si/SiO2) and strained 1L-WS2. Our study highlights the impact of the dielectric environment on the optical properties of two-dimensional (2D) materials, providing valuable insights into the selection of appropriate substrates for implementing atomically thin materials in advanced optoelectronic devices.

Low-energy (∼100eV) electrons have been employed for more than half a century to investigate physical, chemical and electronic phenomena in condensed matter and surface physics. A particular role may be attributed to a purely quantum-mechanical property of the electron–its spin or intrinsic angular momentum. Since the 1970s the electron spin has been indispensable in determining the role of spin-dependent interactions, such as exchange interaction and spin-orbit coupling and their consequences. Most recently, the aspect of topology and its role in condensed matter systems has given a new drive to the investigation of the electron spin and spin textures in such materials. New results on time-dependent ultrafast phenomena may become available by the availability of new intense lasers and laser-driven sources.

This paper contains data and results from Density Functional Theory (DFT) investigation of 423 distinct X2YZ ternary full Heusler alloys, where X and Y represent elements from the D-block of the periodic table and Z signifies element from main group. The study encompasses both “regular” and “inverse” Heusler phases of these alloys for a total of 846 potential materials. For each specific alloy and each phase, a range of information is provided including total energy, formation energy, lattice constant, total and site-specific magnetic moments, spin polarization as well as total and projected density of electronic states. The aim of creating this dataset is to provide fundamental theoretical insights into ternary X2YZ Heusler alloys for further theoretical and experimental analysis.

Magnetic field gradients interfere with the coherence of the atomic ensemble and degrade the performance of the spin-exchange relaxation-free (SERF) atomic magnetometer. In this paper, the influence of magnetic field gradients is incorporated into the response model of single-beam atomic magnetometer, and the theoretical models of transverse relaxation rate, spin polarization and scale factor are established. Based on this model, we find that magnetic field gradients in different directions can cause varying degrees of degradation in the performance parameters of the magnetometer. The magnetic linewidths under different light power and magnetic field gradients are measured using the designed dedicated magnetic field gradients coils, and the spin polarization and magnetic field gradients relaxation rate are obtained through fitting. An unevenness and deviation of the curve are also observed in the experiments, indicating the presence of the magnetic field gradient of approximately 2 nT/cm in the magnetic shields. Furthermore, in a magnetic field gradient environment of 20 nT/cm, the mean of the long-term sensitivity decreased by 3.5 times and the standard deviation increased by 11 times. It shows that the magnetic field gradients will not only affect the signal-to-noise ratio, but also make the magnetometer more vulnerable to external interference when working. The sensitivity and stability of magnetometer will be greatly reduced. The research in this article provides a theoretical and experimental basis for eliminating the influence of magnetic field gradients and improving the accuracy of magnetic field measurements.

Herein, we investigate the effect of tilt mismatch on the quantum oscillations of spin transport properties in two-dimensional asymmetrically tilted Dirac cone systems. This study involves the examination of conductance oscillation in two distinct junction types: transverse- and longitudinal-tilted Dirac cones (TTDCs and LTDCs). Our findings reveal an unusual quantum oscillation of spin-polarized conductance within the TTDC system, characterized by two distinct anomaly patterns within a single period, labeled as the linear conductance phase and the oscillatory conductance phase. Interestingly, these phases emerge in association with tilt-induced orbital pseudo-magnetization and exchange interaction. Our study also demonstrates that the structure of the LTDC can modify the frequency of spin conductance oscillation, and the asymmetric effect within this structure results in a quantum beating pattern in oscillatory spin conductance. We note that an enhancement in the asymmetric longitudinal tilt velocity ratio within the structure correspondingly amplifies the beating frequency. Our research potentially contributes valuable insights for detecting the asymmetry of tilted Dirac fermions in type-I Dirac semimetal-based spintronics and quantum devices.

Abstract Exploration of exotic spin polarizations in single crystals is of increasing interest. A current of longitudinal spins, the so‐called “Dresselhaus‐like” spin current, which is forbidden in materials lacking certain inversion asymmetries, is implied to be generated by a charge current at the interface of single‐crystal CoFe. This work reports unambiguous evidence that there is no indication of spin current of any spin polarizations from the interface or bulk of single‐crystalline CoFe and that the sin2φ second harmonic Hall voltage, which is previously assumed to signify Dresselhaus‐like spin current, is not related to any spin currents but rather a planar Nernst voltage induced by a longitudinal temperature gradient within the sample. Such sin2φ signal is independent of large applied magnetic fields and interfacial spin‐orbit coupling, inversely correlated to the heat capacity of the substrates and overlayers, quadratic in charge current, and appears also in polycrystalline ferromagnets. Strikingly, the planar Nernst effect (PNE) in the CoFe single crystal has a strong fourfold anisotropy and varies with the crystalline orientation. Such strong, anisotropic PNE has widespread impacts on the analyses of a variety of spintronic experiments and opens a new avenue for the development of PNE‐based thermoelectric battery and sensor applications.

We theoretically investigate the effect of a δ-potential to a temporal spin splitter for electron in a semiconductor magnetic quantum microstructure (SMQM), which is realized by patterning a perpendicularly-magnetized ferromagnetic stripe on top of InAs/AlxIn1-xAs. The dwell time for electron in the δ-doped SMQM is still spin polarized, because electron spin interacts with structural magnetic field. The spin-dependent dwell time is modulated by switching the δ-potential owing to the dependence of effective potential felt by electron on the δ-doping. These significant findings demonstrate that such a δ-doped SMQM acts as a manipulable temporal electron-spin splitter, which may be helpful for design of spintronic devices.

Generation of arbitrarily spin-polarized electron and positron beams has been investigated in the single-shot interaction of high-energy polarized γ-photons with an ultraintense asymmetric laser pulse via nonlinear Breit-Wheeler pair production. We develop a fully spin-resolved semi-classical Monte Carlo method to describe the pair creation and polarization. In the considered general setup, there are two sources of the polarization of created pairs: the spin angular momentum transfer from the polarized parent γ-photons, as well as the asymmetry and polarization of the driving laser field. This allows to develop a highly sensitive tool to control the polarization of created electrons and positrons. Thus, dense GeV lepton beams with average polarization degree up to about 80%, adjustable continuously between the transverse and longitudinal components, can be obtained by our all-optical method with currently achievable laser facilities, which could find an application as injectors of the polarized e+e− collider to search for new physics beyond the Standard Model.

We used density functional theory (DFT) calculations to investigate the structural, electronic, magnetic, mechanical, and thermodynamic properties of CoYSb (Y = Cr, Mo and W) compounds. These are XYZ type half-Heusler alloys, which also exist in the face centred cubic MgAgAs-type structure and conform to F4¯3m space group. We computed these properties in three different atomic arrangements known as Type-I, Type-II, and Type-III phases. In all these phases, the alloys were found to be in the ferromagnetic state. Furthermore, the calculated electronic band structure and the total electronic density of states indicated a metallic behavior in CoWSb, nearly half-metallic behavior in CoMoSb, and half-metallic behavior in CoCrSb, with a minority-spin band gap of 0.81 eV. Furthermore, the calculated mechanical properties predicted an anisotropic behavior of these alloys in their stable phase. Finally, due to its high Debye temperature value, CoCrSb shows stronger covalent bonding than CoMoSb and CoWSb, respectively.

Abstract The sluggish kinetics of anodic oxygen evolution reaction (OER) largely impedes the energy conversion efficiency in electrolytic industries. Fundamentally, the OER process is governed by the chemical reactivity of oxygen intermediates. Here, we demonstrate an effective approach to regulate the oxygen reactivity through the double‐exchange interaction (DEI) towards OER activity improvement, using Ti‐substituted pyrochlore ruthenate Y2Ru2−xTixO7 as model catalyst. We unveil that DEI‐induced electron hopping in asymmetric Ru‐O‐Ti backbone enables the charge depletion in Ru active center to tune on the oxygen activation by ligand hole introduction. In addition, the ferromagnetic nature of DEI constructs a spin‐selected channel for charge transport to govern the spin state in oxygen intermediates. Such comprehensive manipulation of oxygen reactivity substantially facilitates the nucleophilic attack process during O–O coupling as rate‐determining step, lowering the energy barrier to improve the intrinsic OER activity.

Transition-metal based half-metallic oxide perovskites are the phenomenal prospect of spintronics for their expectancy of success in information technology. Generalized gradient approximation (GGA) with Perdew–Burke–Ernzerhof (PBE) functional and also adding on-site Coulomb interaction correction (GGA-PBE+U) is implemented within density functional theory (DFT) to analyze the structural, elastic, electronic, magnetic, and optical properties of the oxide perovskites SrNiO3. The structural properties such as lattice parameter, cell volume, total energy, bulk modulus, and pressure derivative are computed at zero pressure. The elastic constants corroborate the material’s mechanical stability and stiffness. The Cauchy pressure, bulk/shear ratio, and Poisson’s ratio values indicate that this material is ductile. The electronic properties, including band structures, total and partial density of states, especially hybridization among Ni 3d and O 2p orbitals, result in half-metallic ferromagnetism. The magnetic moment of the Ni atom keeps rising gradually as the U value increases. Electronic structures are used to analyze and explain the real and imaginary parts of the dielectric function, absorption coefficient, energy loss function, reflectivity, refractive index, and extinction coefficient. Our findings suggest that this compound could be an excellent fit for spintronics applications.

Advanced two-dimensional spin-polarized heterostructures based on twisted (TBG) and nanoporous (NPBG) bilayer graphenes doped with Eu ions were theoretically proposed and studied using Periodic Boundary Conditions Density Functional theory electronic structure calculations. The significant polarization of the electronic states at the Fermi level was discovered for both Eu/NPBG(AA) and Eu/TBG lattices. Eu ions’ chemi- and physisorption to both graphenes may lead to structural deformations, drop of symmetry of low-dimensional lattices, interlayer fusion, and mutual slides of TBG graphene fragments. The frontier bands in the valence region at the vicinity of the Fermi level of both spin-polarized 2D Eu/NPBG(AA) and Eu/TBG lattices clearly demonstrate flat dispersion laws caused by localized electronic states formed by TBG Moiré patterns, which could lead to strong electron correlations and the formation of exotic quantum phases.

We propose a method of cooling nuclear spin systems of solid-state nanostructures by applying a time-dependent magnetic field synchronized with spin fluctuations. Optical spin noise spectroscopy is considered a method of fluctuation control. Depending on the mutual orientation of the oscillating magnetic field and the probe light beam, cooling might be either provided by dynamic spin polarization in an external static field or result from population transfer between spin levels without build-up of a net magnetic moment (“true cooling”).

The inclusion of La-Mn vacancies in LaMnO3 nanoparticles leads to a noticeable change in conductivity behavior. The sample retains its overall insulator characteristic, with a typical thermal activation mechanism at high temperatures, but it presents high magnetoconductivity below 200 K. The activation energy decreases linearly with the square of the reduced magnetization and vanishes when the sample is magnetized at saturation. Therefore, it turns out that electron hopping between Mn3+ and Mn4+ largely contributes to the conductivity below the Curie temperature. The influence of the applied magnetic field on conductivity also supports the hypothesis of hopping contribution, and the electric behavior can be explained as being due to an increase in the hopping probability via spin alignment.

Understanding the phase structures of strong interaction matter is an active frontier in nuclear physics research currently, and it will provide crucial insights into heavy-ion collision experiments as well as neutron star observations. Most studies in this area focus on the influence of extremely high temperatures and baryon densities on matter properties, especially pertaining to phase transitions such as the chiral symmetry breaking and color superconductivity. Recent experimental and theoretical studies reported that in non-central heavy-ion collisions, systems carry a large initial angular momentum that becomes very strong vorticity fields in the bulk fluid. This has thus introduced several new questions regarding the properties of strong interaction matter under vorticity fields, and have led to many novel results. Thermal field theory calculations based on rotating frame and mean-field approximation have been developed to study various phase transitions under rotation, such as chiral symmetry breaking, color superconductivity and superfluidity at high isospin asymmetry. The results have demonstrated important impacts of vorticity fields on the phase boundaries of these transitions, and have also revealed nontrivial new phase structures of strong interaction matter under rotation. A new dimension of the usual QCD phase diagram has been unveiled. The study of rotation-induced phase transition extends phase transition research to a broader space. There remain more unexplored issues that merit further study.

Zero-field optically pumped magnetometers operating in the spin-exchange relaxation-free (SERF) regime have been extensively studied, and usually depend on zeroth-order parametric resonance to measure the magnetic field. However, the studies conducted on this topic lack thorough analyses and in-depth discussion of nonzero-order magnetic resonances in single-beam SERF magnetometers. In this paper, we analyzed the nonzero-order resonance, especially the first-order resonance, based on a single-beam SERF magnetometer, and discussed its various applications. A comprehensive theoretical analysis and experiments were conducted with respect to multiple functions, including nonzero finite magnetic field measurements, spin polarization measurement, and in situ coil constant calibration. The results showed that first-order resonance can be utilized for nonzerofinite magnetic field measurements, and the spin polarization of alkali-metal atoms can be determined by measuring the slowing-down factor using the resonance condition. Furthermore, acquiring the first-order resonance point at an equivalent zero pump light power through fitting offers an approach for quick and precise in situ coil constant calibration. This study contributes to the applications of SERF magnetometers in nonzero finite magnetic fields.

The electronic and magnetic properties of armchair-hexagonal (AHEX) and zigzag-triangular (ZTRI) graphene quantum dots doped with alkali metals are investigated using density functional theory. The binding energy confirms the stability of the undoped systems. Although doping decreases stability of single layer structures, in bilayer ones the binding energy between the layers increases. The former is due to the broken bonds and the deformation at the surface, while the later is due to the chemical bonds formation between the layers. We found that the lowest ground state energy for AHEX/AHEX-doped is the singlet/quadruplet spin state. Therefore, AHEX dots experience transformation from diamagnetic to ferromagnetic state after doping. In addition, the optimized spin state for ZTRI/ZTRI-doped is the quintet/sextet spin-polarized state. In few cases, the doped AHEX/ZTRI dots have doublet/quadruplet spin state due to the strong interaction between the flake atoms that passivates some unpaired electrons. Magnetic properties depend also on stacking, for instance pristine bilayer triangular flakes become antiferromagnetic due to pairing between edge states. The energy gap significantly affected by doping, for instance the gap decreases from ~3.7 eV in hexagonal flakes to 1.5 eV when it is doped with Na in the upper position. Electrons from the broken bonds around the doped metal form orbitals loosely bound to the flake consequently decreasing the energy gap. On the other hand, stacking increases the energy gap in bilayer triangular flakes due to the mutual passivation of the reactive edge states from both the layers. The calculated spin up/down density ratio is high in hexagonal flakes leading to high spin polarization (P), for instance P = 0.64 in hexagonal flakes doped with K atom. The found enhanced spin polarization, in addition to the tunable magnetic properties, makes doped graphene flakes promising candidates for spintronic devices.

We explored electronic spin-dependent physical aspects of ferromagnetic HgCr2Z4 (Z = S, Se) spinels using density functional theory (DFT) for spintronic and energy storage applications. In calculations of structural, electronic, magnetic, and transport aspects, we used Perdew–Burke–Ernzerhof generalized gradient approximation (PBEsol GGA) plus modified Becke-Johnson (mBJ) potential. To calculate structural parameters, we optimized both spinels in the ferromagnetic phase and our predicted data of structural parameters show good comparison with existing experimental data. Also, the calculated negative formation energy confirms the structural stability of the studied spinels. Analyzing ferromagnetic nature of studied spinels based on exchange splitting energy and magnetic parameters, we used mBJ potential to calculate band structure (BS) and density of states (DOS). By exploring DOS, we found the dominant role of electrons spin has been shown by negative indirect exchange energy Δx(pd) values and the fulfillment of the condition Δx(d) > ΔEcry. In addition, exchange constants (N0α and N0β) and magnetic moments were also calculated to ensure their ferromagnetism in studied spinels. Further, the exploration for the influence of electrons spin on electronic transport aspects has been done by investigating electrical and thermal conductivities, Seebeck coefficient, and power factor by using classical Boltzmann transport theory.

This work systematically studied the structure, magnetic and electronic properties of the MXene materials Nd2N and Nd2NT2 (T = OH, O, S, F, Cl, and Br) via first-principles calculations based on density functional theory. Results showed that Nd2NT2 (T = OH, O, S, F, Cl, and Br) have half-metallic characteristics whose half-metallic band gap width is higher than 1.70 eV. Its working function ranges from 1.83 to 6.50 eV. The effects of strain on its magnetic and electronic structures were evaluated. Results showed that the structure of Nd2NT2 (T = OH, O, S, and Br) transitions from a ferromagnetic half-metallic semiconductor to a ferromagnetic metallic and ferromagnetic semiconductor under different strains. By contrast, the structures of Nd2NF2 and Nd2NS2 were observed to transition from a half-metallic semiconductor to a ferromagnetic metallic semiconductor under different strains. Calculations of the electronic properties of different proportions of the surface functional groups of Nd2NTx (T = OH, O, and F; x = 0.5, 1(I, II), and 1.5) revealed that Nd2NO1.5 has the characteristics of semiconductors, whereas Nd2NO(II) possesses the characteristics of half-metallic semiconductors. The other structures were observed to exhibit the characteristics of metallic semiconductors. Prediction of Nd2NT2 (T = OH, O, S, F, Cl, and Br) increases the types of lanthanide MXene materials. They are appropriate candidate materials for preparing spintronic devices.

Abstract The spin polarization of carbon nanomaterials is crucial to design spintronic devices. In this paper, the first‐principles is used to study the electronic properties of two defect asymmetric structures, Cap‐(9, 0)‐Def [6, 6] and Cap‐(9, 0)‐Def [5, 6]. We found that the ground state of Cap‐(9, 0)‐Def [6, 6] is sextet and the ground state of Cap‐(9, 0)‐Def [5, 6] is quartet, and the former has a lower energy. In addition, compared with Cap‐(9, 0) CNTs, the C adatom on C30 causes spin polarization phenomenon and Cap‐(9, 0)‐Def [6, 6] has more spin electrons than Cap‐(9, 0)‐Def [5, 6] structure. Moreover, different adsorb defects reveal different electron accumulation. This finding shows that spin polarization of the asymmetric structure can be adjusted by introducing adatom defects.

As an external field, a magnetic field can change the electrocatalytic activity of catalysts through various effects. Among them, electron spin polarization on the catalyst surface has attracted much attention. Herein, we investigate the sensitive response behavior of a Cu2O nanocubes to an in situ magnetic field. Under a 3 T strong magnetic field, the total transferred electron quantity in IT test (−1.1 VRHE) and the current density in the polarization curve increase by 28.7% and 54.7%, respectively, while the onset potential decreases significantly by 114 mV. Moreover, it was found that product selectivity was also altered by the magnetic field. The Faraday efficiency of C1 increases substantially, along with the inhibition of C2+ reaction paths and the HER. Our experimental results and DFT calculation demonstrate that a hybrid magnetic effect accelerates the CO2RR kinetic and generates spin polarization of the catalyst surface. The polarized surface changes the binding energy of *OCHO/*COOH and inhibits singlet C–C coupling, which restrains the C2+ reduction path and thus more CO2 is reduced to HCOOH.

Structural and physical properties of armchair MoSi2N4 nanoribbons substitutionally doped by 3d transition metals (TM) at Mo sites are investigated using the density functional theory combined with the non-equilibrium Green’s function method. TM doping can convert the nonmagnetic direct semiconductor into device materials of a broad variety, including indirect semiconductors, half semiconductors, metals, and half metals. Furthermore the 100% spin filtering behavior in spin-up and spin-down half metals, a negative differential resistance with peak-to-valley ratio over 140 and a rectification effect with ratio over 130 are predicted, as well as semiconductor behavior with high spin polarization.

This article incorporates details of our calculations of the observable quantities for the scattering of electrons and positrons from a post transition metal Thallium (Tl), in the energy range of 1 eV ≤ Ei ≤ 1 MeV, using the relativistic Dirac partial wave (phase-shift) analysis employing a complex optical-potential. Absolute differential, integrated elastic and inelastic, transport, total ionization, and total cross sections and a thorough study of the critical minima in the elastic differential cross sections along with the associated angular positions of the maximum polarization points in the Sherman function are provided to study the collision dynamics. The optical potential model incorporates the interactions of the incident electron and/or positron with both the nucleus and the bound electrons of the target atom. In-depth analyses of the spin asymmetry, which are sensitive to phases related interference effect, brought on by the various ingredients of the lepton-atom interaction, are also presented. The performance of the current approach to explain the observations, with the exception of the extremely low energy domain, is shown by a comparison of the previous experimental and theoretical results on this target atom.

We study the symmetry of spin transport in graphene with the Rashba spin–orbit coupling (SOC) and the staggered potential, which can be produced by depositing the graphene on a transition-metal dichalcogenides substrate. The results show that all three spin polarization components along the x , y and z directions are achieved with a measurable conductance in such a nonmagnetic graphene. The spin transport property near the two valleys is discussed in the light of the symmetry of the system. Both conductance and spin polarization present some certain symmetries with respect to the Rashba SOC (RSOC) and staggered potential. The system could work as a valley-spin polarization transverter which combines valleytronics and spintronics. Furthermore, the asymmetric Fano–Rashba resonance of the conductance and spin polarization could occur in a resonant structure due to interference of spin-polarized discrete and continuum states induced by the RSOC. The Fano–Rashba resonance can be effectively controlled by the gate voltage. The derived symmetry relations and numerical results could provide a guideline for the design of spin-valley-based devices.

In this article, the fabrication of a Ni0.65Zn0.35Fe2O4/MgO/p-Si heterostructure device has been optimized using the pulsed laser deposition (PLD) technique, and a detailed investigation of its structural, electrical, and magnetic features has been performed experimentally. The electronic and magneto-transport characteristics have been explored in the temperature range of 100–300 K. The current-voltage (I-V) characteristics of the heterojunction have been recorded, which displayed an excellent rectifying magnetic tunnel diode-like behavior throughout that temperature regime. The application of an external magnetic field parallel to the plane of the NZFO film causes the current (I) across the junction to decrease, clearly indicating positive junction magnetoresistance (JMR) of the heterostructure. The root of displaying positive magnetoresistance in our heterojunction has been well justified using the standard spin injection model. The electrical injection of spin-polarized carriers and its accumulation and detection in a p-Si channel have been demonstrated using the NZFO/MgO tunnel contact using a three-terminal (3-T) Hanle device. The parameters such as spin lifetime (99 ps), spin diffusion length (276 nm), and spin polarization (0.44) have been estimated from the Hanle curve detected in our heterostructure at room temperature, making the Ni0.65Zn0.35Fe2O4/MgO/p-Si device a very favorable promising junction structure in the field of spintronics for several device appliances in the future.

Abstract It is established that electron transmission through chiral molecules depends on the electron's spin. This phenomenon, termed the chiral‐induced spin selectivity (CISS), effect has been observed in chiral molecules, supramolecular structures, polymers, and metal‐organic films. Which spin is preferred in the transmission depends on the handedness of the system and the tunneling direction of the electrons. Molecular motors based on overcrowded alkenes show multiple inversions of helical chirality under light irradiation and thermal relaxation. The authors found here multistate switching of spin selectivity in electron transfer through first generation molecular motors based on the four accessible distinct helical configurations, measured by magnetic‐conductive atomic force microscopy. It is shown that the helical state dictates the molecular organization on the surface. The efficient spin polarization observed in the photostationary state of the right‐handed motor coupled with the modulation of spin selectivity through the controlled sequence of helical states, opens opportunities to tune spin selectivity on‐demand with high spatio‐temporal precision. An energetic analysis correlates the spin injection barrier with the extent of spin polarization.

The concept of the Wigner function is used to construct a semi-classical kinetic theory describing the evolution of the axial current phase-space density of spin-12 particles in the relaxation time approximation. The resulting approach can be used to study spin polarization effects in relativistic matter, in particular, in heavy-ion collisions. An expression for the axial current based on the classical treatment of spin is also introduced and we show that it is consistent with earlier calculations using Wigner functions. Finally, we derive non-equilibrium corrections to the spin tensor, which are used to define, for the first time, the structure of spin transport coefficients in relativistic matter.

The spin polarization of photoelectrons in two-color XUV + optical multiphoton ionization is theoretically considered using strong field approximation. We assume that both the XUV and the optical radiation are circularly polarized. It is shown that the spin polarization is basically determined by the XUV photoabsorption and that the sidebands are spin polarized as well. Their polarization may be larger or smaller than that of the central photoelectron line depending on the helicity of the dressing field.

We theoretically explore to separate electron-spins by dwell time of electrons through a magnetic microstructure with a δ-doping, which is fabricated on surface of InAs/AlxIn1-xAs heterostructure by patterning a ferromagnetic (FM) stripe. It is shown that dwell time is spin related due to both spin-field interaction and broken symmetry. It is also shown that spin-polarized dwell time can be manipulated structurally because of δ-doping dependent effective potential. Therefore, electron spins can be separated in time dimension and such a magnetic microstructure can serve as a controllable temporal spin splitter.

This article presents a theoretical investigation of the differential, integrated, elastic, inelastic, total, momentum-transfer, and viscosity cross-sections, along with the total ionization cross-section, for elastically scattered electrons and positrons from a carbon dioxide (CO2) molecule in the incident energy range of 1 eV ≤Ei≤ 1 MeV. In addition, for the first time, we report the spin polarization of e±−CO2 scattering systems. The independent atom model (IAM) with screening correction (IAMS) using a complex optical potential was employed to solve the Dirac relativistic equation in partial-wave analysis. The comparison of our results with the available experimental data and other theoretical predictions shows a reasonable agreement in the intermediate- and high-energy regions.

This paper investigates the spin characteristics of photoelectrons when hydrogen-like ions are centro-symmetrically irradiated with converging vector waves—a non-paraxial form of structured light. For a photon with given total angular momentum and third component thereof, photoelectrons with both helicities are obtained—in contrast to the fixed helicities produced by left- or right-circularly polarized light. The angular distribution of photoelectrons is broadly tunable through the radiation mode numbers, and opposite helicities can be extracted in synchronism.

Phonon and spintronic structures of monolayered Janus vanadium-dichalcogenide compounds are calculated by the first-principles schemes of pseudopotential plane-wave based on spin-density functional theory, to study dynamic structural stability and electronic spin-splitting due to spin-orbit coupling (SOC) and spin polarization. Geometry optimizations and phonon-dispersion spectra demonstrate that vanadium-dichalcogenide monolayers possess a high enough cohesive energy, while VSTe and VTe2 monolayers specially possess a relatively higher in-plane elastic coefficient and represent a dynamically stable structure without any virtual frequency of atomic vibration modes. Atomic population charges and electron density differences demonstrate that V–Te covalent bonds cause a high electrostatic potential gradient perpendicular to layer-plane internal VSTe and VSeTe monolayers. The spin polarization of vanadium 3d-orbital component causes a pronounced energetic spin-splitting of electronic-states near the Fermi level, leading to a semimetal band-structure and increasing optoelectronic band-gap. Rashba spin-splitting around G point in Brillouin zone can be specifically introduced into Janus VSeTe monolayer by strong chalcogen SOC together with a high intrinsic electric field (potential gradient) perpendicular to layer-plane. The vertical splitting of band-edge at K point can be enhanced by a stronger SOC of the chalcogen elements with larger atom numbers for constituting Janus V-dichalcogenide monolayers. The collinear spin-polarization causes the band-edge spin-splitting across Fermi level and leads to a ferrimagnetic order in layer-plane between V and chalcogen cations with higher α and β spin densities, respectively, which accounts for a large net spin as manifested more apparently in VSeTe monolayer. In a conclusion for Janus vanadium-dichalcogenide monolayers, the significant Rashba splitting with an enhanced K-point vertical splitting can be effectively introduced by a strong SOC in VSeTe monolayer, which simultaneously represents the largest net spin of 1.64 (ћ/2) per unit cell. The present study provides a normative scheme for first-principles electronic structure calculations of spintronic low-dimensional materials, and suggests a prospective extension of two-dimensional compound materials applied to spintronics.

Abstract We study the spin- and valley-dependent energy band and transport property of silicene under a periodic potential, where both spin and valley degeneracies are lifted. It is found that the Dirac point, miniband, band gap, anisotropic velocity, and conductance strongly depend on the spin and valley indices. The extra Dirac points appear as the voltage potential increases, the critical values of which are different for electron with different spins and valleys. Interestingly, the velocity is greatly suppressed due to the electric field and exchange field, other than the gapless graphene. It is possible to achieve an excellent collimation effect for a specific spin near a specific valley. The spin- and valley-dependent band structure can be used to adjust the transport, and perfect transmissions are observed at Dirac points. Therefore, a remarkable spin and valley polarization is achieved which can be switched effectively by the structural parameters. Importantly, the spin and valley polarizations are greatly enhanced by the disorder of the periodic potential.

Chiral graphene nanoribbons are extremely interesting structures due to their narrow band gaps and potential development of spin-polarized edge states. Here, we study their band structure on low work function silver surfaces. The use of a curved Ag single crystal provides, within the same sample, regions of disparate step structure and step density. Whereas the former leads to distinct azimuthal growth orientations of the graphene nanoribbons atop, the latter modulates the substrate’s work function and thereby the interface energy level alignment. In turn, we disclose the associated charge transfer from the substrate to the ribbon and assess its effect on the nanoribbon’s properties and the edge state magnetization.

Abstract Zigzag graphene nanoribbons (ZGNRs) are expected to serve as the promising component in the all-carbon spintronic device. It remains challenging to fabricate a device based on ZGNRs with high spin-filter efficiency and low experimental complexity. Using density functional theory combined with nonequilibrium Green’s function technique, we studied the spin-dependent transport properties of the tailored zigzag graphene nanoribbon. A perfect spin-filtering effect is found in the tailored structure of ZGNR. The nearly 100% spin-polarized current and high magneto-resistance ratio can be obtained by applying a homogeneous magnetic field across the device. The distribution of spin up and spin down states at the bridge carbon atom plays a dominant role in the perfect spin filtering. The tailoring of ZGNR provides a new effective approach to graphene-based spintronics.

The magnetic properties response of the layered hybrid material copper hydroxide acetate Cu2(OH)3CH3COO·H2O is studied as a function of the applied pressure within first-principles molecular dynamics. We are able to elucidate the interplay between the structural properties of this material and its magnetic character, both at the local (atomic) level and at the bulk level. We performed a detailed analysis of the intralayer spin configurations occurring for each value of the imposed projection along the z-axis for the total spin and of the applied pressure. The transition from an antiferromagnetic to a ferromagnetic state at high pressure (above 3 GPa) goes along with a vanishing difference between the spin polarizations pertaining to each layer. Therefore, at high pressure, copper hydroxide acetate is a ferromagnet with no changes of spin polarization in the direction perpendicular to the inorganic layers.

This study covers the calculation of the differential cross sections (DCS’s), total cross sections(TCS’s), momentum transfer cross sections (MTCS’s) and spin polarization parameters S(Ɵ),T(Ɵ),U(Ɵ) for electron scattered by [Curium (Cm) ,Europium(Eu) and Ytterbium(Yb)] atoms. The aim of such calculations is to represent the interaction between electron and target atoms in the range (10- 10000) eV by using optical potential. The theoretical method was conducted based on the combination of the static potential with the polarization potential at long distances and the correlation potential of Perdew - Zunger at short distances. Overall, the results show a close agreement when compared to the experimental and theoretical findings that reported by the others.

The electronic structure and spin polarization properties of monolayer GaP3 induced by transition metal (TM) doping were investigated through a first-principles calculation based on density functional theory. The calculation results show that all the doped systems perform spin polarization properties, and the Fe–doped system shows the greatest spin polarization property with the biggest magnetic moment. Based on the analysis from the projected density of states, it was found that the new spin electronic states originated from the p–d orbital couplings between TM atoms and GaP3 lead to spin polarization. The spin polarization results were verified by calculating the spin density distributions and the charge transfer. It is effective to introduce the spin polarization in monolayer GaP3 by doping TM atoms, and our work provides theoretical calculation supports for the applications of triphosphide in spintronics.

We numerically investigate spin-controlled vertical-cavity surface-emitting lasers (spin-VCSELs) for local oscillators, which are based on an injection locking technique used in coherent optical communications. Under the spin polarization modulation of an injection-locked spin-VCSEL, frequency-shifted and phase-correlated optical sidebands are generated with an orthogonal polarization against the injection light, and one of the sidebands is resonantly enhanced due to the linear birefringence in the spin-VCSEL. We determine that the peak strength and peak frequency in the spin polarization modulation sensitivity of the injection-locked spin-VCSEL depend on detuning frequency and injection ratio conditions. As a proof of concept, 25-Gbaud and 16-ary quadrature amplitude modulation optical data signals and a pilot tone are generated, and the pilot tone is used for the injection locking of a spin-VCSEL. An orthogonally-polarized modulation sideband generated from the injection-locked spin-VCSEL is used as a frequency-shifted local oscillator (LO). We verify that the frequency-shifted LO can be used for the homodyne detection of optical data signals with no degradation. Our findings suggest a novel application of spin-VCSELs for coherent optical communications.

In this work, we put forward a prescription of achieving spin selective electron transfer by means of light irradiation through a tight-binding (TB) magnetic chain whose site energies are modulated in the form of well known Aubry–Andre–Harper (AAH) model. The interaction of itinerant electrons with local magnetic moments in the magnetic system provides a misalignment between up and down spin channels which leads to a finite spin polarization (SP) upon locating the Fermi energy in a suitable energy zone. Both the energy channels are significantly affected by the irradiation which is directly reflected in degree of spin polarization as well as in its phase. We include the irradiation effect through Floquet ansatz and compute spin polarization coefficient by evaluating transmission probabilities using Green’s function prescription. Our analysis can be utilized to investigate spin dependent transport phenomena in any driven magnetic system with quasiperiodic modulations.

That the rates and yields of reactions of organic radicals can be spin dependent is well known in the context of the radical pair mechanism (RPM). Less well known, but still well established, is the chiral-induced spin selectivity (CISS) effect in which chiral molecules act as spin filters that preferentially transmit electrons with spins polarized parallel or antiparallel to their direction of motion. Starting from the assumption that CISS can arise in electron transfer reactions of radical pairs, we propose a simple way to include CISS in conventional models of radical pair spin dynamics. We show that CISS can (a) increase the sensitivity of radical pairs to the direction of a weak external magnetic field, (b) change the dependence of the magnetic field effect on the reaction rate constants, and (c) destroy the field-inversion symmetry characteristic of the RPM. We argue that CISS polarization effects could be observable by EPR (electron paramagnetic resonance) of oriented samples either as differences in continuous wave, time-resolved spectra recorded with the spectrometer field parallel or perpendicular to the CISS quantization axis or as signals in the in-phase channel of an out-of-phase ESEEM (electron spin echo envelope modulation) experiment. Finally we assess whether CISS might be relevant to the hypothesis that the magnetic compass of migratory songbirds relies on photochemically-formed radical pairs in cryptochrome flavoproteins. Although CISS effects offer the possibility of evolving a more sensitive or precise compass, the associated lack of field-inversion symmetry has not hitherto been observed in behavioural experiments. In addition, it may no longer be safe to assume that the observation of a polar magnetic compass response in an animal can be used as evidence against a radical pair sensory mechanism.