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We report on the chemical design of chiral molecular junctions with stress‐dependent conductance, whose helicity is maintained during the stretching of a single molecule junction due to the stapling of both ends of the inner helix. In the reported compounds, different conductive pathways are observed, with clearly different conductance values and plateau‐length distributions, attributed to different conformations of the helical structures. The large chiro‐optical responses and the potential use of these molecules as unimolecular spin filters have been theoretically proved using state‐of‐the‐art Density Functional Theory (DFT) calculations, including a fully ab‐initio estimation of the CISS‐originating spin polarization which is done, for the first time, for a realistic molecular system. [ABSTRACT FROM AUTHOR]

In this paper, we theoretically investigate how to control spin filtering via a δ -doping for electrons in a magnetically and electrically modulated semiconductor nanostructure (MEMSN), which can be realized by patterning a ferromagnetic (FM) stripe and a Schottky-metal (SM) stripe on top and bottom of GaAs/AlxGa 1 − x As heterostructure in experiments, respectively. A considerable spin filtering effect still exists because of spin–orbit coupling (SOC), even if a δ -doping is included. Moreover, spin polarization ratio can be manipulated by δ -doping, which may lead to a structurally-controllable electron-spin filter for semiconductor spintronics. [ABSTRACT FROM AUTHOR]

Abstract Spatially separating electrons of different spins and efficiently generating spin currents are crucial steps towards building practical spintronics devices. Transverse magnetic focusing is a potential technique to accomplish both those tasks. In a material where there is significant Rashba spin–orbit interaction, electrons of different spins will traverse different paths in the presence of an external magnetic field. Experiments have demonstrated the viability of this technique by measuring conductance spectra that indicate the separation of spin-up and spin-down electrons. However the effect that the geometry of the leads has on these measurements is not well understood. By simulating an InGaAs-based transverse magnetic focusing device, we show that the resolution of features in the conductance spectra is affected by the shape, separation and width of the leads. Furthermore, the number of subbands occupied by the electrons in the leads affects the ratio between the amplitudes of the spin-split peaks in the spectra. We simulated devices with random onsite potentials and observed that transverse magnetic focusing devices are sensitive to disorder. Ultimately we show that careful choice and characterisation of device geometry are crucial for correctly interpreting the results of transverse magnetic focusing experiments.

In this study, we investigate the spin-dependent electron transport properties of a zigzag silicene nanoribbon (ZSiNR) by using spin-polarized density functional theory and the non-equilibrium Green's function method. The results show that such a ZSiNR with an FM configuration exists the perfect dual spin filtering and dual spin diode effects when the bias voltage was applied. These phenomena still exist in ZSiNRs with different widths. As the ribbon width increases, the progressively smaller bias voltage is required to trigger a polarized current. Therefore, such a ZSiNR in FM configuration is a good candidate for spintronic devices. [ABSTRACT FROM AUTHOR]

Based on systematic first-principles density-functional theory simulations, we predict that the zigzag GaN nanoribbons (ZGaNNRs) can be used both as highly efficient CO detectors as well as spin filters. Our calculations, performed both on infinitely long nanoribbons, and also on finite strands, suggest that: (a) CO binds strongly at the edges of ZGaNNRs, and (b) that several of the resultant configurations exhibit half-metallic behavior. We considered various edge-passivation sites and found that all the resultant structures are thermodynamically stable. The metallic, half-metallic, and semiconducting configurations are observed as a function of CO passivation coverage. We also compute the currentâ€"voltage (Iâ€"V) characteristics of various structures using the Landauer formalism, and find that the devices made up of half-metallic configurations act as highly-efficient spin filters. The effect of CO concentration is also investigated which suggests a viable way to not just tune the electronic band gap of ZGaNNRs, but also their half metallicity. Our simulations thus suggest a new direction of research for possible device applications of IIIâ€"V heterostructures. [ABSTRACT FROM AUTHOR]

The investigation focused on examining the spin polarization and thermal spin polarization transport characteristics of dual rhenium phthalocyanine (Re2PC2) molecular junctions. This analysis was conducted using first-principles density-functional theory and the non-equilibrium Green's function approach. Calculations were performed on molecular junctions in two configurations: one at a non-magnetic electrode (Au) and the other at a magnetic electrode (Ni). A comparison of the spin transport properties of the two electrodes shows significant differences. The magnetic electrode has a notable effect on the spin-polarization and thermal spin-polarization transport properties of the devices. In contrast, the nickel electrode bis-phthalocyanine rhenium molecular device exhibits perfect spin/thermal spin-filtering efficiencies in a parallel structure. The properties of the dual phthalocyanine rhenium molecular devices were significantly affected by the nature of the electrodes. This makes dual rhenium phthalocyanine molecular junctions have great potential for the development of high-performance multifunctional spintronic and spin caloritronic devices. • The nickel electrode Re2PC2 molecular device showed perfect spin/thermal SFE at parallel structure. • PDOS revealed that the transport properties of Re2PC2 molecules were strongly influenced by the magnetic electrode. • Changing the direction of the magnetic moments of the molecules and electrodes can alter the device's characteristics. [ABSTRACT FROM AUTHOR]

Spatially separating electrons of different spins and efficiently generating spin currents are crucial steps towards building practical spintronics devices. Transverse magnetic focusing is a potential technique to accomplish both those tasks. In a material where there is significant Rashba spin–orbit interaction, electrons of different spins will traverse different paths in the presence of an external magnetic field. Experiments have demonstrated the viability of this technique by measuring conductance spectra that indicate the separation of spin-up and spin-down electrons. However the effect that the geometry of the leads has on these measurements is not well understood. By simulating an InGaAs-based transverse magnetic focusing device, we show that the resolution of features in the conductance spectra is affected by the shape, separation and width of the leads. Furthermore, the number of subbands occupied by the electrons in the leads affects the ratio between the amplitudes of the spin-split peaks in the spectra. We simulated devices with random onsite potentials and observed that transverse magnetic focusing devices are sensitive to disorder. Ultimately we show that careful choice and characterisation of device geometry are crucial for correctly interpreting the results of transverse magnetic focusing experiments. [ABSTRACT FROM AUTHOR]

Chiral Pb(Sn)‐I hybrid organic–inorganic perovskites exhibit outstanding chiral‐induced spin selectivity (CISS) performance, but the nontoxic lead‐free hybrid materials with high stability are still greatly desired for spin filtering in spintronic applications. We synthesize chiral hybrid copper halides (R/S‐MBA)2CuX4 (MBA=methylbenzylammonium; X=Cl, Br) with characteristic 0D CuX4 tetrahedral structural motifs, combining the low toxicity of Cu2+ and air stability of halide ions (Cl− and Br−). Despite similar structural and electronic features, (R/S‐MBA)2CuBr4 shows much smaller chiroptical activity than the chloride counterpart. Magnetically conductive atomic force microscopy measurements display a typical spin‐polarized charge‐transport property with high efficiency up to 90 % for both copper halides. Our work expands the CISS effect into eco‐friendly and stable metal–organic halides, which is promising for applications in spintronics based on transition‐metal hybrid systems. [ABSTRACT FROM AUTHOR]

During the last decade, on‐surface fabricated graphene nanoribbons (GNRs) have gathered enormous attention due to their semiconducting π‐conjugated nature and atomically precise structure. A significant breakthrough is the recent fabrication of nanoporous graphene (NPG) as a 2D array of laterally bonded GNRs. This covalent integration of GNRs could enable complex electronic functionality at the nanoscale; however, for that, it is crucial to externally control the electronic coupling between GNRs within NPGs, which, to date, has not been possible. Using quantum chemical calculations and large‐scale transport simulations, this study demonstrates that such control is enabled in a newly designed quinone‐NPG (q‐NPG) thanks to its GNRs inter‐connections based on electroactive para‐benzoquinone units. As a result, the spatial distribution of injected currents in q‐NPG may be tuned, with sub‐nanometer precision, via the application of external electrostatic gates and electrochemical means. These results thus provide a fundamental strategy to design organic nanodevices with built‐in externally tunable electronics and spintronics, which is key for future applications such as bio‐chemical nanosensing and carbon nanoelectronics. [ABSTRACT FROM AUTHOR]

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In this study, spin polarization efficiency and spin-dependent transmission of electrons passing through a multiple quantum well structure with constant total effective length (60 nm) made of GaAs/Al0.3Ga0.7As, which was grown along [001] direction, were investigated. The calculations were done with the quantum transmitting boundary method. We presented the number of wells in a constant total length as a tuning tool for spin filtering purposes. In some energy intervals, 100% spin polarization and spin-dependent transmission were observed. [ABSTRACT FROM AUTHOR]

The ability to control the degree of spin in molecular junctions (MJs) is attractive for their applications in spintronics. Here, it is demonstrated that spin‐resolved quantum interference (SQI) can effectively improve spin‐filtering behavior of MJs. By first‐principle calculations in combination with nonequilibrium Green's function investigations, spin‐resolved charge transport in graphene/Cr‐porphyrin/graphene MJs shows that, due to the SQI, the tunable spin filtering behaviors can be achieved by changing the length of molecule. The SQI related phase coherence/decoherence in these MJs is revealed by considering the effects of temperature and electron–phonon interactions. Furthermore, a higher spin filtering efficiency in low bias region can be obtained by Cr‐doped in single‐porphyrin junction, due to the Cr‐enhanced SQI. These results show great potential for the application of MJs with SQI in the molecular intergrated circuit and provide a promising way for designing spin molecular devices by using quantum interference. [ABSTRACT FROM AUTHOR]

Fe-doped transition metal disulfides can be prepared by in situ substitutional doping, and the Fe-doped WS 2 (Fe:WS 2) was predicted to be a 2D ferromagnetic half-metal with high Curie temperature. Ferromagnetic half-metal may enlarge the tunneling magnetoresistance (TMR) in magnetic tunneling junctions. Herein, we constructed the Fe:WS 2 /WS 2 /Fe:WS 2 in-plane tunneling junctions with narrow WS 2 barrier and studied the spin-polarized quantum transport based on the density functional theory combined with non-equilibrium Green's function. The calculated TMR can be as large as 107, which is rarely available as far as we know. Besides, the spin-polarized current oscillates with the bias voltage and perfect spin filtering effect can still be found even at nonzero bias. The nonequilibrium quantum transport can be explained by the changes of the spin-dependent transmission spectra at bias voltages. Our calculated results may be helpful for the design and application of WS 2 -based magnetic tunneling junctions in spintronics. [Display omitted] • Planer Fe:WS 2 /WS 2 /Fe:WS 2 junction has giant tunneling magnetoresistance. • The tunneling magnetoresistance can be as large as 10 7 , which is rarely available. • Perfect spin filtering effect can still be found even at nonzero bias. • Ferromagnetic half-metal enhances the magnetoresistance and spin filtering. [ABSTRACT FROM AUTHOR]

A brief recollection of the problems related to a significant hyperon polarization observed in pp-collisions is given with an emphasis on the general role of spin in the dynamics of hadron interactions. The old, unsolved problem of the observation of a significant hyperon polarization can provide new insights as a result of the measurements of energies at the LHC; in combination with other measurements, these can be used to tag the QGP formation in pp-collisions with colliding beams. Polarization studies in the processes of hyperon production do not require the use of polarized beams or targets and can be performed in the existing experimental environment at the LHC. Model predictions based on the chiral dynamics and pictures of the impact parameter are presented for the illustration of a possible dynamical mechanism that leads to a hyperon polarization.

Organic ferromagnets are intriguing materials in that they combine ferromagnetic and organic properties. Although challenges in their synthesis still remain, the development of organic spintronics has triggered strong interest in high-performance organic ferromagnetic devices. This review first introduces our theory for spin-dependent electron transport through organic ferromagnetic devices, which combines an extended Su–Schrieffer–Heeger model with the Green’s function method. The effects of the intrinsic interactions in the organic ferromagnets, including strong electron–lattice interaction and spin–spin correlation between π-electrons and radicals, are highlighted. Several interesting functional designs of organic ferromagnetic devices are discussed, specifically the concepts of a spin filter, multi-state magnetoresistance, and spin-current rectification. The mechanism of each phenomenon is explained by transmission and orbital analysis. These works show that organic ferromagnets are promising components for spintronic devices that deserve to be designed and examined in future experiments.

Spin-dependent ballistic transport in a mesoscopic three-terminal Y-shaped setup with a spin-discriminating ferromagnetic membrane in one of the outgoing leads is studied using the Landauer–Büttiker formalism. Our calculations, performed at sufficiently low temperatures when thermal effects and magnon scattering become vanishingly small, predict a strong quantum-interference caused enhancement of a spin-filtering effect originally arising due to the band-structure mismatch between the ferromagnetic metal and the lead. Finally, we discuss its possible applications for an efficient injection of a spin-polarized current into a superconductor and for self-controlled spin currents in quantum spintronic networks. [ABSTRACT FROM AUTHOR]

Employing the nonequilibrium Green's function technique, electron transport characteristics through a laterally coupled triple-quantum-dot chain are investigated. The conductance versus electron energy is numerically calculated. Two anti-resonance points change into two anti-resonance bands with increasing the size of triple-quantum-dot chain. The widths of two anti-resonance bands are the same and can be regulated via adjusting the inter-dot tunneling coupling strength in the main chain or its attachment. Spin-polarized window emerges due to Zeeman splitting as an external magnetic flux is introduced. Our studies demonstrate that the system can be used as a quantum switch or an efficient spin filtering. [ABSTRACT FROM AUTHOR]

Abstract By using the nonequilibrium Green's function method combined with density functional theory, we investigate the spin transport properties of an azulene-like molecule sandwiched between two ferromagnetic zigzag graphene nanoribbon (ZGNR) electrodes. The results show that the width of electrodes and the magnetization configurations of electrodes are critical to spin transport. By tuning the spin configurations of ZGNR electrodes, excellent spin filtering, spin rectifying, and giant magnetoresistance behaviors can be obtained simultaneously in devices with 4-ZGNR electrodes. Analysis of symmetric of Bloch wave functions, spin resolved band structures of the electrodes with applied bias, transmission spectra, as well as the projected density of states reveals the mechanism of these intriguing properties. These results might be useful in the design of high performance multifunctional spintronic devices. Graphical abstract Image 1 Highlights • Spin-resolved transport properties of azulene-like molecular devices are explored. • Remarkable spin filtering behavior with 100% spin filtering efficiency is shown in device with 4-ZGNR electrodes. • Obvious spin rectifying behavior is witnessed in azulene-like molecular device. • Giant magnetoresistance is realized under low bias voltages. • The inside view of observed results is given. [ABSTRACT FROM AUTHOR]

Spin-dependent electronic transport properties of single 3d transition metal (TM) atoms doped α-armchair graphyne nanoribbons (α-AGyNR) are investigated by non-equilibrium Green's function (NEGF) method combined with density functional theory (DFT). It is found that all of the impurity atoms considered in this study (Fe, Co, Ni) prefer to occupy the sp-hybridized C atom site in α-AGyNR, and the obtained structures remain planar. The results show that highly localized impurity states are appeared around the Fermi level which correspond to the 3d orbitals of TM atoms, as can be derived from the projected density of states (PDOS). Moreover, Fe, Co, and Ni doped α-AGyNRs exhibit magnetic properties due to the strong spin splitting property of the energy levels. Also for each case, the calculated current-voltage characteristic per super-cell shows that the spin degeneracy in the system is obviously broken and the current becomes strongly spin dependent. Furthermore, a high spin-filtering effect around 90% is found under the certain bias voltages in Ni doped α-AGyNR. Additionally, the structure with Ni impurity reveals transfer characteristic that is suitable for designing a spin current switch. Our findings provide a high possibility to design the next generation spin nanodevices with novel functionalities. [ABSTRACT FROM AUTHOR]

[Display omitted] • Half-metallicity and spin-splitting is observed in 1T'-WTe 2 /CrBr 3 vdW heterostructure due to magnetic proximity effect. • 100 % spin-polarization in majority spin channel and gapped state in minority spin channel of heterostructure system. • Observation of half-metallicity enabled by hybridization of d-orbital, manifesting robust magnetic proximity effect. • With inclusion of electric field, half-metallic character is tuned and transformed to metallicity and semiconducting nature. • The notable enhancement of magnetic moment observed at zero electric field,the magnetic moment modulation of ± 0.04 μ B / c e l l is evident in presence of external electric field in ± Z -directions. The magnetic proximity effect (MPE) together with electric-field tunability en-routes new physical paradigm in developing nanoscale devices by modulating the functionalities of the materials. By employing first-principles calculation, we investigate MPE in a van der Waals (vdW) heterostructure constituted by a monolayer Weyl semimetal 1T'-WTe 2 (tungsten di-telluride), coupled with a monolayer ferromagnet CrBr 3 (chromium tribromide) at an interplanar distance of 3.68 Å. The proximity effect infers that the heterostructure system is 100 % spin-polarized leading to half-metallic nature, with a spin-splitting of 25 and 10 meV for two spin configurations. This robustness of MPE arises due to orbital hybridization and charge transfer at the interface of heterostructure system. Moreover, half-metallic nature is tuned and transformed to semiconducting and overlapping states in presence of external bias. The spin-splitting manifests orbital hybridization due to d-orbitals of W and Cr with a notable enhancement of 4 % in the magnetic moment value (12.04 µ B per cell). We also observe that proximitized interface is highly sensitive towards an application of external electric field. With external bias, the Fermi level across charge neutrality point is easily tuned and controls charge transport at interface. The consistent nature of conductivity enables the interfacial polarization and coherent electron drift is realized due to seamless proximity interaction across the transport channel of the heterostructure system. This electric field-mediated MPE in vdW heterostructure can strongly recommend for next-generation spin filtering and field effect transistor (FET) devices. [ABSTRACT FROM AUTHOR]

With the end of Moore’s law in sight, researchers are in search of an alternative approach to manipulate information. Spintronics or spin-based electronics, which uses the spin state of electrons to store, process and communicate information, offers exciting opportunities to sustain the current growth in the information industry. For example, the discovery of the giant magneto resistance (GMR) effect, which provides the foundation behind modern high density data storage devices, is an important success story of spintronics; GMR-based sensors have wide applications, ranging from automotive industry to biology. In recent years, with the tremendous progress in nanotechnology, spintronics has crossed the boundary of conventional, all metallic, solid state multi-layered structures to reach a new frontier, where nanostructures provide a pathway for the spin-carriers. Different materials such as organic and inorganic nanostructures are explored for possible applications in spintronics. In this short review, we focus on the boron nitride nanotube (BNNT), which has recently been explored for possible applications in spintronics. Unlike many organic materials, BNNTs offer higher thermal stability and higher resistance to oxidation. It has been reported that the metal-free fluorinated BNNT exhibits long range ferromagnetic spin ordering, which is stable at a temperature much higher than room temperature. Due to their large band gap, BNNTs are also explored as a tunnel magneto resistance device. In addition, the F-BNNT has recently been predicted as an ideal spin-filter. The purpose of this review is to highlight these recent progresses so that a concerted effort by both experimentalists and theorists can be carried out in the future to realize the true potential of BNNT-based spintronics.

The influence of external magnetic field switching “on” and “off” on the non-stationary spin-polarized currents in the system of correlated single-level quantum dot coupled to non-magnetic electronic reservoirs has been analyzed. It was shown that considered system can be used for the effective spin filtering by analyzing its non-stationary characteristics in particular range of applied bias voltage. [ABSTRACT FROM AUTHOR]

Ferromagnetism in half-metallic two-dimensional material can lead to unique spintronics application. In this work, Cr-doped single-layer graphdiyne is predicted to be two-dimensional ferromagnetic semiconductor, and Mn-doped graphdiyne is predicted to be ferromagnetic conductor using first-principle calculations. Cr and Mn adatoms could be stabilized on the corner sites of graphdiyne sheet due to high migration barriers. The currents through Cr- and Mn-doped graphdiyne possess spin polarization feature. For Cr-doped graphdiyne system, the transmission polarization is up to 100% and could be controlled by the gate voltage. Cr-/Mn-doped graphdiyne with spin-polarized semiconductor/conductor properties could be promising material for combined usage in spintronics application. [ABSTRACT FROM AUTHOR]

To investigate charge and spin dependent conductance properties of Phosphorus doped zigzag silicene nanoribbons (ZSiNRs), we utilize recursive Green's function method and Landauer-Büttiker formalism. Our calculations are performed in the absence and presence of exchange magnetic fields with both parallel and antiparallel configurations. Considering a supperlattice of Phosphorus substituents in a periodic distribution at the edge of nanoribbon, the effect of increasing number of dopants and period of the distribution on transport properties are studied. It is found that transport properties of doped ZSiNRs vary with doping concentration according to being odd or even of number of dopants. For parallel configuration, doped ZSiNR with various concentrations works as a controllable spin filter with Fermi energy. Increasing doping concentration leads to increasing size of conductance gap and improvement of controlling quality of spin-filtering property while increasing period of Phosphorus atomic distribution has destructive effect on size of conductance gap and destroys spin-filtering property. Moreover, we show that although the same results are obtained for transport properties of doped ZSiNR with various concentrations of Phosphorus atoms in presence of antiparallel exchange magnetic fields, a completely controllable spin-filtering property cannot be achieved by Fermi energy changes. [ABSTRACT FROM AUTHOR]

A combination of density functional theory and non-equilibrium Green's function methods are used to simulate spin-dependent electronic transport in monatomic Au-nanowires sandwiched between ferromagnetic electrodes. Electrodes of the junction are in turn composed of tetragonal FeCo, FePd and FePt alloys. Magnetic anisotropy energies of the electrodes are calculated for different values of the c/a ratios of the electrode lattice constants and it is shown that at c/a = 1.05, the FePt electrodes gain a relatively large amount of magnetic anisotropy energy (MAE). Hence, it is concluded that the ferromagnetic FePt alloy can be used as a suitable type of electrode for applications in perpendicular magnetic tunnel junctions (MTJs). We observe that increasing the c/a ratio leads to notable improvements in the spin filtering of the FeCo and FePd MTJs while it only has a slight effect on the filtering of the FePt MTJ. Later, we show that by removing the interfacial Pt atoms of the FePt MTJ, we are able to enhance its filtering property. [ABSTRACT FROM AUTHOR]

[Display omitted] • Effects of the vacancy is mainly depended upon edge configuration of the ribbon. • Half-metallicity can be realized in zigzag BPNR with phosphorus vacancy. • Charge injection and transverse electric field can raise spin-polarization with B-vacancy. • Perfect bipolar spin filtering effect observed with a B-vacancy near rich-P edge. Edge states and vacancy-induced defect states simultaneously occur near Fermi level of boron-phosphide nanoribbon (BPNR) when there is a vacancy in it, which is a compromise of two important influencing factors for electronic property modulation. Based on density functional theory, the effects of mono-vacancy on electronic structure of zigzag/armchair BPNRs have been investigated. Calculation results indicate that effects of the vacancy on electronic property of the system is mainly depended on edge configuration of the ribbon. Half-metallicity can be realized in zigzag BPNR with phosphorus vacancy. Furthermore, it is found that charge injection and transverse electric field can raise spin-polarization of zigzag BPNR with boron vacancy near rich-B edge. Most interestingly, it exhibits perfect bipolar spin filtering effect for the case of zigzag BPNR with a boron vacancy near rich-P edge. [ABSTRACT FROM AUTHOR]

The magnetic and spin transport properties of asymmetric edge-hydrogenated zigzag graphene nanoribbons (ZGNRs) selectively doped with nitrogen atoms were investigated using spin-polarized density functional theory and non-equilibrium Green's function. Results show that the rectifying performance of spin-polarized current with a ratio higher than 10 can be modulated by changing the positions of the nitrogen dopant. Complete spin filtering (100%) and excellent negative differential resistance behaviors were observed in the ZGNR junctions. These doping position-dependent spin transport characteristics were further tested by shifting from the odd-numbered zigzag-shaped C chains ( N) to the even-numbered N in ZGNRs. This study suggests that adopting a suitable nitrogen doping position could be an effective approach to significantly enhance the rectifying behavior of asymmetric edge-hydrogenated ZGNRs, which are promising materials for multifunctional spintronic devices. [ABSTRACT FROM AUTHOR]

How to generate stable and pure spin-polarized current in nanodevice based on low-dimensional magnetic materials and systems has attracted extensive attention. In this work, using the non-equilibrium Green's function (NEGF) combined with density-functional theory (DFT), we predict highly conductive transport and perfect spin filtering of the novel T-shaped device, which is constructed by a finite armchair silicon carbide nanoribbon (ASiCNR) connected to one edge of an infinite zigzag silicon carbide nanoribbon (ZSiCNR). This particular performance is due to the fact that there are always two edge states contributing to electron transport around the Fermi level, no matter whether the ZSiCNR is in the ferromagnetic or anti-ferromagnetic state. As a consequence, the T-shaped device would ideally yield 100% spin-polarized current with one spin channel blocked by the ASiCNR part. Moreover, it is found that such blocking effect is independent of the shape of the ASiCNR part. Based on the above analysis, it is easily predicted that such pure spin-polarized current could also be obtained in the device constructed by ZSiCNRs, as long as one pristine edge of ZSiCNRs is defected by doping, absorbing, vacancies and so on, which opens new possibility of two dimensional silicon carbide in spintronic device applications. [ABSTRACT FROM AUTHOR]

Spin-resolved momentum microscopy and theoretical calculations are combined beyond the one-electron approximation to unveil the spin-dependent electronic structure of the interface formed between iron (Fe) and an ordered oxygen (O) atomic layer, and an adsorbate-induced enhancement of electronic correlations is found. It is demonstrated that this enhancement is responsible for a drastic narrowing of the Fe d-bands close to the Fermi energy (E F ) and a reduction of the exchange splitting, which is not accounted for in the Stoner picture of ferromagnetism. In addition, correlation leads to a significant spin-dependent broadening of the electronic bands at higher binding energies and their merging with satellite features, which are manifestations of a pure many-electron behavior. Overall, adatom adsorption can be used to vary the material parameters of transition metal surfaces to access different intermediate electronic correlated regimes, which will otherwise not be accessible. The results show that the concepts developed to understand the physics and chemistry of adsorbate-metal interfaces, relevant for a variety of research areas, from spintronics to catalysis, need to be reconsidered with many-particle effects being of utmost importance. These may affect chemisorption energy, spin transport, magnetic order, and even play a key role in the emergence of ferromagnetism at interfaces between non-magnetic systems., (© 2022 The Authors. Advanced Materials published by Wiley-VCH GmbH.)

Spin-polarized transport through the magnetic polyacetylene (poly-BIPO) in the presence of a soliton spin density distribution is numerically investigated in the metal/poly-BIPO/metal model junction. The study was performed using the modified Su-Schrieffer-Heeger Hamiltonian with the extended Hubbard model for the electron-electron interaction in the case of finite electron correlation. The spin transport properties were calculated within the framework of Green's function theory and Landauer-Büüttiker formalism. Our results indicate that the presence of neutral solitons gives rise to the extension of spin density distribution which induces the extended soliton states in the middle of an energy gap of the molecule such that the band gap width of the molecule reduced It is also shown that the spin transport depends on the relative direction of the spin of soliton and the spin of radicals, and also, the maximum polarization happens when the spin direction of the radicals and soliton is in the opposite directions. [ABSTRACT FROM AUTHOR]

Using the non-equilibrium Green’s function method combined with the density functional theory, we investigate the spin transport properties of carbon chains connected with armchair- and zigzag-edged graphene nanoribbon (ZGNR) electrodes at finite bias with the parallel magnetism configuration. When spin polarized electrons are injected into carbon chains from the ZGNR electrode, the β-spin current is nearly zero, while the α-spin current shows large values in the calculated bias region, thus the spin polarization 100% can be achieved, which is a promising pathway for developing a spin filter. [ABSTRACT FROM AUTHOR]