Potential Applications In Spintronics Research Articles

Layer-number parity-dependent oscillatory spin transport in β -Ga2O3 magnetic tunnel junctions

Spintronics devices have been a research hotspot due to their rich theoretical and application value. The widebandgap semiconductor β-Ga2O3 has excellent application potential in spintronics due to the controllability of its electron behavior via ultraviolet light. This paper employs first-principles calculations and the Wenzel–Kramers–Brillouin (WKB) approximation to comprehensively investigate spin transport based on magnetic tunnel junctions (MTJs) comprising β-Ga2O3 nanosheets. The magnetic moment of the ferromagnetic layer in β-Ga2O3 MTJs is found to be positively correlated with tunnel magnetoresistance (TMR). Interestingly, layer-number parity-dependent oscillation of TMR in β-Ga2O3 MTJs is observed, which is explained by the non-equilibrium Green function and the WKB approximation. TMR reaches a maximum of 1077% at five layers, and bias-dependent stability is observed in the monolayer model under biases of 0–20 mV. This study not only expands the application potential of β-Ga2O3 and predicts its superiority in spintronics but also enriches the related condensed matter theory.

Chiral Jahn-Teller Distortion in Quasi-Planar Boron Clusters.

In this work, we have observed that some chiral boron clusters (B16-, B20-, B24-, and B28-) can simultaneously have helical molecular orbitals and helical spin densities; these seem to be the first compounds discovered to have this intriguing property. We show that chiral Jahn-Teller distortion of quasi-planar boron clusters drives the formation of the helical molecular spin densities in these clusters and show that elongation/enhancement in helical molecular orbitals can be achieved by simply adding more building blocks via a linker. Aromaticity of these boron clusters is discussed. Chiral boron clusters may find potential applications in spintronics, such as molecular magnets.

Synthesis, structural, optical, dielectric, magnetic and magneto-dielectric properties of CoFe2O4 and Graphene Quantum Dots (GQDs) decorated CoFe2O4 hybrid nanocomposite

A sol-gel synthesis method was used for the synthesis of pure CoFe2O4 (CFO) as well as Graphene Quantum Dots (GQDs) decorated CoFe2O4 Hybrid Nanocomposite (GCHN). From X-ray diffraction (XRD) data it was analyzed that both these samples have a cubic structure with Fd-3m space group. Using Debye-Scherer's equation, the average sizes were determined to be 24.48 and 13.74 nm, respectively. FTIR spectra revealed details about vibration bands and functional groups present. Raman spectra confirmed existence of GQDs in GCHN with an ID/IG ratio of ∼0.8. The results of Field emission scanning electron microscopy (FESEM) analysis exhibited microstructural morphological details having shapes of grains to be non-uniform in shape. UV–visible data was used to calculate band gap (Eg) energy by using Tauc plot method and found to be 2.52 eV and 2.99 eV respectively for CFO and GCHN. Urbach energy (EU) was found to be 1.03 and 1.19 eV for CFO and GCHN respectively. The dielectric properties of GCHN were analyzed for dependence on frequency and temperature and explained by Maxwell-Wagner-type polarization. The frequency-dependent ac conductivity (σac) followed Jonscher's power law and investigated dynamics of ion hopping. Impedance spectroscopy was used to further evaluate Nyquist plots with respect to temperature as well as magnetic fields to estimate grain and grain boundary contributions. This was further used to evaluate electrical characteristics such as relaxation time (τ). Activation energies (Ea) calculated using relaxation times were found to be 0.48 eV for CFO while 0.22 and 0.92 eV for GCHN respectively. At room temperature, CFO and GCHN exhibited a strong magneto-dielectric coupling (MD) and showed negative magneto-dielectric properties in low-frequency regions. At room temperature (RT), magnetization values of CFO and GCHN displayed were 38.48 and 7.52 emu/g respectively. The lower magnetization value was possibly due to shielding by GQDs in GCHN. These properties enable it to be used as a potential application in microelectronic systems, spintronics, optical and optoelectronic devices, magnetic resonance imaging (MRI) and memory devices.

Robust half metallic properties in two-dimensional transition metal borocarbides: TMBC (TM = 3d transition metals)

Two-dimensional transition metal borocarbides with intrinsic magnetism have garnered significant research attention due to their potential applications in spintronics. Using density functional theory calculations, we designed a type of transition metal borocarbides with two distinct configurations, TMBC-Is and TMBC-IIs (TM = V–Co), and explored their electronic and magnetic properties. Our results demonstrate that all the studied systems exhibit both thermal and kinetic stability. Notably, four systems of MnBC-I/MnBC-II and FeBC-I/FeBC-II are robust ferromagnetic (FM) half metals (HMs) with Curie temperatures of 145, 180, 108, and 315 K. Expect FeBC-II monolayer, FM to antiferromagnetic transition occurs for three other FM HMs under 8%–10% compressive strains, while FM HM to FM semiconductor transition is found for MnBC-II monolayer under 8% tensile strain. These findings provide a promising way to design two-dimensional FM HMs, which hold potential applications in spintronics.

Phonon and electronic properties of semiconducting silicon nitride bilayers

The two-dimensional (2D) IV-V semiconductors have attracted much attention due to their fascinating electronic and optical properties. In this work, we predicted three phases of silicon nitrides, denoted α-Si2N2, β-Si2N2, and γ-Si4N4, respectively. Both α-Si2N2 and β-Si2N2 consist of two buckled SiN sheets, and γ-Si4N4 consists of two puckered SiN sheets. It is challenging to transform between α-Si2N2 and β-Si2N2 because of the high energy barrier. The three dynamically stable bilayers are semiconductors with fundamental indirect band gaps from 0.25 eV to 2.92 eV. As expected, only the s and p orbitals contribute to the electronic states, and the pz orbitals dominate near the Fermi level. Furthermore, insulator-metal transitions occur in α-Si2N2 and β-Si2N2 under the biaxial strain of 16 %. These materials perhaps have potential applications in microelectronics and spintronics.

Chiral Viologen-Derived Water-Stable Small Band Gap Lead Halides: Synthesis, Characterization, and Optical Properties.

Chiral organic-inorganic metal halides (OIMHs) are attractive for their potential applications in chiral optoelectronics and spintronics, such as circular polarized light emitters, detectors, and chiral-induced spin selectivity. Here, we report three pairs of chiral OIMHs with great water stability constructed from chiral viologens. These OIMHs contain either 1D or 0D structures, however, with small band gaps around 2 eV. Circular dichroism (CD) spectroscopy on transparent thin films of two OIMH pairs showed a wide CD response covering most of the visible light range. Although the chiral center is not directly attached to the pyridinium in these chiral viologens, the chirality is still successfully transferred into both the band gap and the exciton absorption ranges. Liquid and solid CD studies of the chiral viologens further indicate that the chiral induction inside these OIMHs is possibly through chiral crystallization. This work demonstrated the design strategy of water-stable, small band gap chiral OIMHs through chiral viologens. These low-dimensional chiral materials may provide an interesting system to investigate chiral induction, and their broad CD response may enable their potential application as circular photodetectors with a wide detection range.

Resistivity size effect in epitaxial face-centered cubic Co(001) layers

Metastable face-centered cubic (fcc) Co layers are deposited by reactive magnetron sputtering in 5 mTorr N2 at 400 °C followed by vacuum annealing at 500 °C. The resulting phase-pure Co(001)/MgO(001) layers contain negligible nitrogen and exhibit a surface roughness <0.8 nm and a cube-on-cube epitaxial relationship with the substrate with Co[100]ǁMgO[100]. The measured resistivity vs thickness d = 10–1000 nm indicates a bulk resistivity ρo = 6.4 ± 0.3 μΩ cm for fcc Co at room temperature and ρo = 1.3 ± 0.1 μΩ cm at 77 K, and an effective electron phonon mean free path λ = 27 ± 2 nm and 79 ± 6 nm at 295 and 77 K, respectively. The resulting ρo × λ benchmark quantity is 3–5 times larger than that predicted from first principles, suggesting a breakdown of the Fuchs–Sondheimer model at small dimensions. The overall results indicate that fcc Co exhibits no intrinsic conductance benefit over stable hcp Co nor conventional Cu for narrow interconnects. The developed method for growth of epitaxial fcc Co(001) layers provides opportunities to study this metastable material for potential spintronic applications.

Chiral photon emission from a chiral–achiral perovskite heterostructure

Chiral semiconductors have been recently suggested as the basic building blocks for the design of chiral optoelectronic and electronic devices for chiral emission and spintronics. Herein, we report that through the formation of a chiral/achiral heterostructure, one can develop a chiral system that integrates the merits of both chiral and achiral components for developing a demanded chiral emitter. In the R-(+)-(or S-(−)-)1-(1-naphthyl)-ethylammonium lead bromide/CsPbBr3 heterostructure, we show that the photoluminescence of CsPbBr3 carries a degree of circular polarization of around 1% at room temperature. It is explained that such chiral emission is enabled through the chiral self-trapped exitonic absorption of R-(+)- (or S-(−)-)1-(1-naphthyl)-ethylammonium lead bromide. This work may provide an alternative way to generate bright circularly polarized light from achiral materials, which has potential applications in spintronics, biosensing, and signal encryption.

Role of S-Vacancy Concentration in Air Oxidation of WS2 Single Crystals.

Semiconducting transition metal dichalcogenides (TMDs) are a class of two-dimensional materials with potential applications in optoelectronics, spintronics, valleytronics, and quantum information processing. Understanding their stability under ambient conditions is critical for determining their in-air processability during device fabrication and for predicting their long-term device performance stability. While the effects of environmental conditions (i.e., oxygen, moisture, and light) on TMD degradation are well-acknowledged, the role of defects in driving their oxidation remains unclear. We conducted a systematic X-ray photoelectron spectroscopy study on WS2 single crystals with different surface S-vacancy concentrations formed via controlled argon sputtering. Oxidation primarily occurred at defect concentrations ≥ 10%, resulting in stoichiometric WO3 formation, while a stable surface was observed at lower concentrations. Theoretical calculations informed us that single S-vacancies do not spontaneously oxidize, while defect pairing at high vacancy concentrations facilitates O2 dissociation and subsequent oxide formation. Our XPS results also point to vacancy-related structural and electrostatic disorder as the main origin for the p-type characteristics that persists even after oxidation. Despite the complex interplay between defects and TMD oxidation processes, our work unveils scientifically informed guidance for working effectively with TMDs.

Exploring half-metallicity and pressure-induced effect in inverse heusler alloys: First principle DFT investigations of Cr2XZ (X = Ni, Pd, Pt; Z = Al, Ga, Si, Ge)

In this study, we have predicted a set of inverse Heusler alloys (HA) based on transition metals, specifically Cr2XZ (X = Ni, Pd, and Pt; Z = Al, Ga, Si, and Ge), using density functional theory (DFT) calculations. The structural, electronic, magnetic, and elastic properties, of Cr2XZ HAs have been investigated in detail to evaluate their potential for spintronic applications. Our electronic structure analysis involved the examination of band structure (BS) and density of states (DOS) to elucidate the half-metallic and magnetic characteristics of the alloys. The results indicate that Cr2XZ alloys stabilize in the F 4‾ 3 m space group in the Hg2CuTi type inverse structure, displaying a ferrimagnetic (FiM) ground state. Notably, among the inverse HAs, Cr2NiAl, and Cr2PtSi exhibit intriguing half-metallic properties with 100% spin polarization at the Fermi level (EF). Furthermore, under the influence of pressure, there is evidence of a nearly half-metallic nature in Cr2PtAl and Cr2PdGe, while the nearly half-metallic traits persist up to compressive pressures of 55 GPa and 40 GPa for Cr2PtAl, and Cr2PdGe, respectively. The Born stability criteria confirm the mechanical stability of the Cr2XZ HAs, with Cr2NiZ (Z = Al, and Ga), Cr2PdZ (Z = Ga, and Ge), and Cr2PtAl exhibiting a brittle nature, and Cr2NiZ (Z = Si, and Ge), Cr2PdZ (Z = Al, and Si), and Cr2PtZ (Z = Ga, Si, and Ge) exhibiting ductility.

Nontrivial Topological Phases in Ternary Borides M2XB2 (M=W, Mo; X=Co, Ni)

The nontrivial band topologies protected by certain symmetries have attracted significant interest in condensed matter physics. The discoveries of nontrivial topological phases in real materials provide a series of archetype materials to further explore the topological physics. Ternary borides M2XB2 (M = W, Mo; X = Co, Ni) have been widely investigated as the wear-resistant and high-hardness materials. Based on first-principles calculations, we find the nontrivial topological properties in these materials. Taking W2NiB2 as an example, this material shows the nodal line semimetal state in the absence of spin-orbit coupling. Two types of nodal lines appear near the Fermi level simultaneously. One is protected by the combined space-inversion and time-reversal symmetry, and the other is by the mirror symmetry. Part of these two-type nodal lines form nodal chains. When spin-orbit coupling is included, these nodal lines are fully gapped and the system becomes a strong topological insulator with nontrivial Z 2 index (1;000). Our calculations demonstrate that a nontrivial spin-momentum locked surface Dirac cone appears on the (1¯10) surface. We also find that other isostructural ternary borides Mo2NiB2, Mo2CoB2, and W2CoB2 possess similar topological band structures. Therefore, our work not only enriches the understanding of band topology for ternary borides, but also lays the foundation for the further study of topological phases manipulation and potential spintronic applications in realistic materials.

Epitaxial growth and magnetic properties of kagome metal FeSn/elemental ferromagnet heterostructures

Binary kagome compounds TmXn (T = Mn, Fe, Co; X = Sn, Ge; m:n = 3:1, 3:2, 1:1) have garnered recent interest owing to the presence of both topological band crossings and flatbands arising from the geometry of the metal-site kagome lattice. To exploit these electronic features for potential applications in spintronics, the growth of high-quality heterostructures is required. Here, we report the synthesis of Fe/FeSn and Co/FeSn bilayers on Al2O3 substrates using molecular beam epitaxy to realize heterointerfaces between elemental ferromagnetic metals and antiferromagnetic kagome metals. Structural characterization using high-resolution x-ray diffraction, reflection high-energy electron diffraction, and electron microscopy reveals that the FeSn films are flat and epitaxial. Rutherford backscattering spectroscopy was used to confirm the stoichiometric window where the FeSn phase is stabilized, while transport and magnetometry measurements were conducted to verify metallicity and magnetic ordering in the films. Exchange bias was observed, confirming the presence of antiferromagnetic order in the FeSn layers, paving the way for future studies of magnetism in kagome heterostructures and potential integration of these materials into devices.

Understanding and Tuning Magnetism in Layered Ising‐Type Antiferromagnet FePSe3 for Potential 2D Magnet

AbstractRecent developments in 2D magnetic materials have motivated the search for new van der Waals magnetic materials, especially Ising‐type magnets with strong magnetic anisotropy. Fe‐based MPX3 (M = transition metal, X = chalcogen) compounds such as FePS3 and FePSe3 both exhibit an Ising‐type magnetic order, but FePSe3 receives much less attention compared to FePS3. This work focuses on establishing the strategy to engineer magnetic anisotropy and exchange interactions in this less‐explored compound. Through chalcogen and metal substitutions, the magnetic anisotropy is found to be immune against S substitution for Se whereas tunable only with heavy Mn substitution for Fe. In particular, Mn substitution leads to a continuous rotation of magnetic moments from the out‐of‐plane direction toward the in‐plane. Furthermore, the magnetic ordering temperature displays non‐monotonic doping dependence for both chalcogen and metal substitutions but due to different mechanisms. These findings provide deeper insight into the Ising‐type magnetism in this important van der Waals material, shedding light on the study of other Ising‐type magnetic systems as well as discovering novel 2D magnets for potential applications in spintronics.

Ferromagnetic insulating substrate for magnetic proximity studies: LaCoO3thin film.

Ferromagnetic insulators (FMIs) are intriguing not only due to their rare nature, but also due to their potential applications in spintronics and various electronic devices. One of its key promising applications is based on an FMI-induced magnetic proximity effect, which can impose an effective time-reversal symmetry breaking on the target ultrathin layer to realize novel emergent phenomena. Here, we conduct systematic studies on thin film LaCoO3, an insulator known to be ferromagnet under tensile strain, with varying thicknesses, to establish it as an FMI platform to be integrated in heterostructures. The optimal thickness of the LaCoO3layer, providing a smooth surface and robust ferromagnetism with large remanence, is determined. A heterostructure consisting of an ultrathin target layer (2 uc SrRuO3), the LaCoO3FMI layer, and the La0.5Sr0.5CoO3conducting layer has been fabricated and the angle-resolved photoemission spectroscopy measurement on the multi-layer system demonstrates a sharp Fermi edge and a well-defined Fermi surface without the charging effect. This demonstrates the feasibility of the proposed heterostructure using LaCoO3thin film as the FMI layer, and further lays a groundwork to investigate the magnetic proximity induced phases in quantum materials.

Strain-induced topological phase transition in ferromagnetic Janus monolayer MnSbBiS2Te2.

We investigate a strain-induced topological phase transition in the ferromagnetic Janus monolayer MnSbBiS2Te2 using first-principles calculations. The electronic, magnetic, and topological properties are studied under biaxial strain within the range of -8 to +8%. The ground state of monolayer MnSbBiS2Te2 is metallic with an out-of-plane magnetic easy axis. A band gap is opened when a compressive strain between -4% and -7% is applied. We observe a topological phase transition at a biaxial strain of -5%, where the material becomes a Chern insulator exhibiting a quantum anomalous hall (QAH) effect. We find that biaxial strain and spin-orbit coupling (SOC) are responsible for the topological phase transition in MnSbBiS2Te2. In addition, we find that biaxial strain can alter the direction of the magnetic easy axis of MnSbBiS2Te2. The Curie temperature is calculated using the Heisenberg model and is found to be 24 K. This study could pave the way to the design of topological materials with potential applications in spintronics, quantum computing, and dissipationless electronics.

Influence of defects induced by plasma-bombarded monolayer WS<sub>2 </sub>on optical properties of bound excitons

<sec>Monolayer transition metal dichalcogenides (TMDCs) exhibit exceptional properties including atomic-scale thickness, direct bandgap, and strong spin-orbit coupling, which make them have great potential applications in spintronics, optoelectronics, and other fields. Usually, materials contain various structural defects, which are either formed during preparation and growth or induced by subsequent treatments. These defects can significantly change their physicochemical properties. Consequently, controlling and comprehending defects is an important approach to adjusting the properties of these materials.</sec><sec>Herein, we use Ar<sup>+</sup> plasma to bombard monolayer WS<sub>2,</sub> which is exfoliated mechanically, thereby introducing defects whose density is controlled by changing the bombardment duration. The photoluminescence (PL) and Raman spectroscopic measurements at different temperatures and power values are utilized to investigate the optical properties of the defects. Furthermore, time-resolved photoluminescence is employed to unveil the dynamic behaviors of free and trapped excitons.</sec><sec>The bombardment can introduce different types of defects into typical two-dimensional (2D) TMDCs such as MoS<sub>2</sub> and WS<sub>2</sub>. Single sulfur vacancies are frequently generated, while other defects like double sulfur vacancies or metal atom vacancies can also occur. Exciton effects dominate the optical properties of monolayer TMDCs due to reduced screening and large effective mass. At low temperatures, bound exciton emissions arise from trapped states. Our measurements reveal two types of defect-bound excitons from the PL spectra at around 1.85 eV (X<sup>B1</sup>) and 1.55 eV (X<sup>B2</sup>). Meanwhile, the Raman peaks of the samples before and after treatment exhibit no obvious changes, indicating that the lattice structure remaines unchanged. After the Ar<sup>+</sup> bombardment, the intensity of the free neutral exciton significantly decreases to 1/6 of untreated WS<sub>2</sub>, owing to the free exciton population and the increased non-radiative centers. The dynamic processes of these two bound excitons are considerably slower than the neutral exciton’s, showing the typical dynamic behavior of defect-bound excitons. Furthermore, comparison between the PL under vacuum condition and the PL under atmospheric condition shows that the intensities of the two bound excitons exhibit opposing behaviors. In an atmospheric environment, neutral excitons and bound exciton X<sup>B1</sup> possess higher intensities. In the vacuum, the strength of neutral exciton and X<sup>B1</sup> decrease quickly, while the intensity of deep-level bound exciton X<sup>B2</sup> increases.</sec><sec>In summary, we observe two bound exciton states arising from specific vacancy states in monolayer WS<sub>2</sub> after Ar<sup>+</sup> bombardment. Their energy values are 200 meV and 500 meV lower than those of the neutral exciton, with a splitting energy value being about 300 meV. The detailed evolution of the relative spectral weight with temperature and excitation power are presented. This work provides insights into the generation, control, and characteristic spectra of defects in 2D materials.</sec>

Synergism of Light-Induced [4 + 4] Cycloaddition and Electron Transfer Toward Switchable Photoluminescence and Single-Molecule Magnet Behavior in a Dy4 Cubane.

Molecular materials possessing switchable magneto-optical properties are of great interest due to their potential applications in spintronics and molecular devices. However, switching their photoluminescence (PL) and single-molecule magnet (SMM) behavior via light-induced structural changes still constitutes a formidable challenge. Here, a series of cubane structures were synthesized via self-assembly of 9-anthracene carboxylic acid (HAC) and rare-earth ions. All complexes exhibited obvious photochromic phenomena and complete PL quenching upon Xe lamp irradiation, which were realized via the synergistic effect of photogenerated radicals and [4 + 4] photocycloaddition of the AC components. The quenched PL showed the largest fluorescence intensity change (99.72%) in electron-transfer photochromic materials. A reversible decoloration process was realized via mechanical grinding, which is unexpectedly in the electron-transfer photochromic materials. Importantly, an SMM behavior of the Dy analog was observed after room-temperature irradiation due to the photocycloaddition of AC ligands and the photogenerated stable radicals changed the electrostatic ligand field and magnetic coupling. Moreover, based on the remarkably photochromic and photoluminescent properties of these compounds, 2 demos were applied to support their application in information anti-counterfeiting and inkless printing. This work, for the first time utilizing the simultaneous modulation of photocycloaddition and photogenerated radicals in one system, realizes complete PL quenching and light-induced SMM behavior, providing a dynamical switch for the construction of multifunctional polymorphic materials with optical response and optical storage devices.

Near-room temperature ferromagnetism and a tunable anomalous Hall effect in atomically thin Fe4CoGeTe2.

Itinerant ferromagnetism at room temperature is a key factor for spin transport and manipulation. Here, we report the realization of near-room temperature itinerant ferromagnetism in Co doped Fe5GeTe2 thin flakes. The ferromagnetic transition temperature TC (∼323 K-337 K) is almost unchanged when the thickness is as low as 12 nm and is still about 284 K at 2 nm (bilayer thickness). Theoretical calculations further indicate that the ferromagnetism persists in monolayer Fe4CoGeTe2. In addition to the robust ferromagnetism down to the ultrathin limit, Fe4CoGeTe2 exhibits an unusual temperature- and thickness-dependent intrinsic anomalous Hall effect. We propose that it could be ascribed to the dependence of the band structure on thickness that changes the Berry curvature near the Fermi energy level subtly. The near-room temperature ferromagnetism and tunable anomalous Hall effect in atomically thin Fe4CoGeTe2 provide opportunities to understand the exotic transport properties of two-dimensional van der Waals magnetic materials and explore their potential applications in spintronics.

Hydrogen-designed spin-states of 2D silicon carbide and graphene nanostructures.

Identifying and manipulating spin in two-dimensional materials is of great interest in advancing quantum information and sensing technologies, as well as in the development of spintronic devices. Here, we investigate the influence of hydrogen adsorption on the electronic and magnetic properties of graphene-like triangulenes. We have constructed triangulenes from SiC monolayers, which have been successfully synthesized very recently, extending our investigation to include graphene triangulenes. This advancement in the synthesis of SiC monolayers allows us to investigate deeper into the unique properties of SiC-based triangulenes and compare them with their graphene counterparts. The addition of hydrogen has been found to induce a magnetic moment in the SiC monolayer, with a more localized spin density when H is adsorbed in the C sites while spreading through the lattice when adsorbed on the Si sites. In triangular flakes, the ground spin state changes with the adsorption site: decreasing multiplicity on edge-defined sublattices and increasing it on the opposite sublattice. These findings suggest hydrogen adsorption as a tool for tuning spin-state properties in SiC and graphene nanostructures, with potential applications in spintronics and spin quantum dot devices.

Valley polarization and magnetic anisotropy of two-dimensional Ni2Cl3I3/MoSe2 heterostructures.

Two-dimensional (2D) Janus trihalides have attracted widespread attention due to their potential applications in spintronics. In this work, the valley polarization of MoSe2 at the K' and K points can be modulated by Ni2Cl3I3, a new 2D Janus trihalide. The Ni2Cl3I3/MoSe2 heterostructure has an in-plane magnetic anisotropy energy (IMA) and is characterized by three distinct electronic structures: metallic, semiconducting, and half-metallic. It is noted that the semiconducting state features a band gap of 0.07 eV. When spin-orbit coupling (SOC) is considered, valley polarization is exhibited in the Ni2Cl3I3/MoSe2 heterostructure, with the degree of valley polarization varying across different configurations and reaching a maximum value of 4.6 meV. The electronic properties, valley polarization and MAE of the system can be tuned by biaxial strains. The application of a biaxial strain ranging from -6% to +6% can enhance the valley polarization value from 0.9 meV to 12.9 meV. The directions of MAE of the Ni2Cl3I3/MoSe2 heterostructure can be changed at biaxial strains of -6%, +2%, +4% and +6%. The above calculation results show that the heterostructure system possesses rich electronic properties and tunability, with extensive potential applications in the fields of spintronic and valleytronic devices.