Spin-split Band Research Articles

Vacancies Engineering in Molybdenum Boride MBene Nanosheets to Activate Room-Temperature Ferromagnetism.

The rapid development of low energy dissipation spintronic devices has stimulated the search for air-stable 2D nanomaterials possessing room-temperature ferromagnetism. Here the experimental realization of 2D Mo4/3B2 nanosheets is reported with intrinsic room-temperature ferromagnetic characteristics by vacancy engineering. These nanosheets are synthesized by etching the bulk MAB phase (Mo2/3Y1/3)2AlB2 into Mo4/3B2 nanosheets in ZnCl2 molten salt. The Mo4/3B2 nanosheets show robust intrinsic ferromagnetic properties, with a saturation magnetic moment of 0.044emug-1 at 300K, while vacancy-free MoB MBene exhibits paramagnetism. It is elucidated that the Mo-vacancy defect generates large density of states near the Fermi surface and spontaneously spin-split bands through first-principles calculations, which contributes to the non-zero magnetic moment in Mo4/3B2 nanosheets. This work lays the groundwork for activating the magnetic properties of MBene nanosheets by vacancy engineering, offering the possibilities for development of practical spintronic devices.

Halogen-Dependent Circular Dichroism and Magneto-Photoluminescence Effects in Chiral 2D Lead Halide Perovskites.

Chiral lead halide perovskites (chiral LHPs) have emerged as one of the best candidates for opto-spintronics due to their large spin-orbit coupling (SOC) and unique chirality-induced spin selectivity (CISS) even in the absence of a magnetic field. Here, we report the impact of halide composition on circular dichroism (CD) and magneto-photoluminescence (PL) effects of chiral 2D LHPs (R/S-MBA)2PbBrxI4-x (MBA = C6H5CH2(CH3)NH3). By tuning the mixing ratio of Br/I halide anions, we find that (R/S-MBA)2PbBrxI4-x thin films exhibit tunable and wide wavelength range CD signals. Simultaneously, the main CD signals near the exciton absorption band gradually blue shift until they disappear. Moreover, the halogen-dependent negative magneto-PL effects of (R/S-MBA)2PbBrxI4-x thin films excited by left/right circularly polarized light can be detected at room temperature. We demonstrated that the halide composition can effectively modulate exciton splitting and chirality transfer in (R/S-MBA)2PbBrxI4-x owing to the chirality-induced SOC and crystalline structure transition, which lead to the adjustable CD signals. The interplay of Rashba-type band spin splitting and spin mixing among bright triplet exciton states is responsible for the halogen-dependent magneto-PL effect of chiral 2D LHPs. This study enables chiral 2D LHPs with CISS to be a new class of promising opto-spintronics materials for exploring high-performance spin-light-emitting diodes by halide engineering.

Exchange-enhanced spin-orbit splitting and its density dependence for electrons in monolayer transition metal dichalcogenides

We show that spin-orbit splitting (SOS) in monolayers of semiconducting transition metal dichalcogenides (TMDs) is substantially enhanced by an electron-electron interaction. This effect, similar to the exchange enhancement of the electron g factor, is most pronounced for conduction band electrons (in particular, in MoS2), and it has a nonmonotonic dependence on the carrier sheet density n. That is, the SOS enhancement is peaked at the onset of filling of the higher-energy spin-split band by electrons, n*, which also separates the regimes of slow (at n<n*) and fast (for n>n*) spin and valley relaxation of charge carriers. Moreover, this density itself is determined by the enhanced SOS value, making the account of exchange renormalization important for the analysis of the spintronic performance of field-effect transistors based on two-dimensional TMDs. Published by the American Physical Society 2024

Spin-Polarized Antiferromagnetic Metals

Spin-polarized antiferromagnets have recently gained significant interest because they combine the advantages of both ferromagnets (spin polarization) and antiferromagnets (absence of net magnetization) for spintronics applications. In particular, spin-polarized antiferromagnetic metals can be useful as active spintronics materials because of their high electrical and thermal conductivities and their ability to host strong interactions between charge transport and magnetic spin textures. We review spin and charge transport phenomena in spin-polarized antiferromagnetic metals in which the interplay of metallic conductivity and spin-split bands offers novel practical applications and new fundamental insights into antiferromagnetism. We focus on three types of antiferromagnets: canted antiferromagnets, noncollinear antiferromagnets, and collinear altermagnets. We also discuss how the investigation of spin-polarized antiferromagnetic metals can open doors to future research directions.

Interface defect state induced spin injection in organic magnetic tunnel junctions

This article analytically explores defect assisted spin injection in organic magnetic tunnel junctions (MTJs) [x/rubrene/Co, x = La2O3, LaMnO3, La0.7Ca0.3MnO3 (LCMO), La0.7Sr0.3MnO3 (LSMO)] employing nonequilibrium Green’s function (NEGF). Spin precession at ferromagnet (FM)/organic semiconductor (OSC) interface defect states have been considered while modeling the MTJ devices. Variations in voltage dependent parallel (RP) and antiparallel (RAP) resistances have been attributed to modified spin dependent scattering at modified spin resolved density of states of magnetic electrodes. Moreover, change in distribution of defect state depths at a spin injection interface has also been observed to modify RP/RAP, and hence, tunnel magnetoresistance (TMR) across the devices. Localization of defect state distribution due to a high spin split band may have resulted in large TMR for La2O3 devices. Nonlinear spin transfer torque (STT) in devices other than LSMO indicates compensation of spin damping, resulting in a high TMR response across the devices. Hence, the localization of defect state distribution and the choice of magnetic electrodes with high spin split bands may be exercised to realize spintronic devices for low power spin memory applications.

Chiral Split Magnon in Altermagnetic MnTe.

Altermagnetism is a newly recognized magnetic class named after the alternating spin polarizations in both real and reciprocal spaces. Like the spin splitting of electronic bands, the magnon bands in altermagnets are predicted to exhibit alternating chiral splitting. In this work, by performing inelastic neutron scattering on α-MnTe, we directly observed the altermagnetic magnon splitting. The lifted degeneracy of magnons is well explained by a symmetric-exchange origin. Further calculation based on the obtained spin-wave model demonstrates the magnons are chiral split as well. In addition, the g-wave magnetism was experimentally identified in MnTe.

Giant resistance switch in twisted transition metal dichalcogenide tunnel junctions

Abstract Resistance switching in multilayer structures are typically based on materials possessing ferroic orders. Here we predict an extremely large resistance switching based on the relative spin-orbit splitting in twisted transition metal dichalcogenide (TMD) monolayers tunnel junctions. Because of the valence band spin splitting which depends on the valley index in the Brillouin zone, the perpendicular electronic transport through the junction depends on the relative reciprocal space overlap of the spin-dependent Fermi surfaces of both layers, which can be tuned by twisting one layer. Our quantum transport calculations reveal a switching resistance larger than 106% when the relative alignment of TMDs goes from 0º to 60º and when the angle is kept fixed at 60º and the Fermi level is varied. By creating vacancies, we evaluate how inter-valley scattering affects the efficiency and find that the resistance switching remains large (104%) for typical values of vacancy concentration. Not only should this resistance switching be observed at room temperature due to the large spin splitting, but our results also show how twist angle engineering and control of van der Waals heterostructures could be used for next-generation memory and electronic applications.

Giant spin seebeck effect with highly polarized spin current generation and piezoelectricity in flexible V2SeTeO altermagnet at room temperature

Studies on altermagnetic materials are attracting extensive research efforts owing to their directional dependent spin split band structure. However, it is rare to find reports on the possibility of multifunctionality in altermagnetic systems. Here, we explore the spin dependent transport properties and piezoelectricity of two-dimensional V2SeTeO altermagnet. The V2SeTeO system has a direct band gap of 0.32 eV with a Neel temperature of 510 K. We find a giant effective Seebeck coefficient of 0.64 mV/K at 300 K. This is several times larger than that found in bulk and other two-dimensional materials. Moreover, the effective Seebeck effect is entirely determined by either only spin-up or spin-down component. This feature implies that we can generate highly spin polarized current by temperature gradient at room temperature. We attribute this pure spin current generation to the directional dependent spin split band structure. Along with the spin dependent transport properties, we also find that the Janus V2SeTeO altermagnet shows outstanding flexibility and piezoelectric response with out-of-plane piezoelectric coefficient of d31=0.245pm/V. Overall, we propose that the V2SeTeO altermagnet system exhibits multifunctional physical properties at room temperature, and this can be utilized for potential spintronics and flexible piezoelectric applications simultaneously.

Valley-Related Multipiezo Effect and Noncollinear Spin Current in an Altermagnet Fe2Se2O Monolayer.

An altermagnet exhibits many novel physical phenomena because of its intrinsic antiferromagnetic coupling and natural band spin splitting, which are expected to give rise to new types of magnetic electronic components. In this study, an Fe2Se2O monolayer is proven to be an altermagnet with out-of-plane magnetic anisotropy, and its Néel temperature is determined to be 319 K. The spin splitting of the Fe2Se2O monolayer reaches 860 meV. Moreover, an Fe2Se2O monolayer presents a pair of energy valleys, which can be polarized and reversed by applying uniaxial strains along different directions, resulting in a piezovalley effect. Under the strain, the net magnetization can be induced in the Fe2Se2O monolayer by doping with holes, thereby realizing a piezomagnetic property. Interestingly, noncollinear spin current can be generated by applying an in-plane electric field on an unstrained Fe2Se2O monolayer doped with 0.2 hole/formula unit. These excellent physical properties make the Fe2Se2O monolayer a promising candidate for multifunctional spintronic and valleytronic devices.

Emerging flat bands and spin polarization in nanodiamond island superlattices with varying carrier effective masses

For the first time, a set of regular 2D sp2/sp3 hybrid superlattices of nanodiamond islands confined between two graphene sheets (NDI-c2G) were proposed and explored using Density Functional Theory Periodic Boundary Conditions simulations. The fusion involves coronene and ovalene molecules with top and bottom graphene lattices, which can be treated with electron beam irradiation and atomic hydrogen at the nanodiamond site in three different configurations: (111)CD, (0001)HD, and (2¯110)HD. This creates distorted sp3 nanodiamond sublattices within the sp2 graphene fragments, serving as regions with confined electrons, making the charge carriers’ effective masses heavier. The presence of spin-splitting valence spin-up and conduction spin-down flat bands near the Fermi level in cubic ((111)CD-I and (111)CD-II) and hexagonal ((2¯110)HD)-II) superlattices resulted in magnetic moments of 3.99μB, 3.99μB, and 1.99μB per unit cell, respectively. Various configurations significantly impacted their electronic properties, resulting in spin-polarized and non-spin-polarized systems with flat bands near the Fermi level, exhibiting a semiconducting nature. The averaged spin moments per carbon atom were 0.16μB, 0.14μB, and 0.08μB, localized at the sp2/sp3 interfaces of the nanodiamond sites. Analysis of the electronic states, band structure, charge carrier effective masses, and spin density distribution suggests NDI-c2G shares similar electronic nature to strongly correlated twisted bilayer graphenes at small magic angles.

Alternating spin splitting of electronic and magnon bands in two-dimensional altermagnetic materials

Abstract Unconventional antiferromagnetism dubbed as altermagnetism was firstly discovered in rutile structured magnets, which is featured by spin splitting even without the spin-orbit coupling effect. This interesting phenomenon has led to the discovery of more altermagnetic materials. In this work, we explore two-dimensional altermagnetic materials by studying two series of two-dimensional magnets, including MF4 with M covering all 3d and 4d transition metal elements, as well as TS2 with T = V, Cr, Mn, Fe. Through the magnetic symmetry operation of the RuF4 and MnS2, it was verified that breaking the time inversion is a necessary condition for spin splitting. Based on symmetry analysis and first-principles calculations, we found that the electronic bands and magnon dispersion experience alternating spin splitting along the same path. This work paves the way for exploring altermagnetism in two-dimensional materials.

Strain-tuned electronic and valley-related properties in Janus monolayers of SWSiX2 (X = N, P, As)

Abstract Exploring novel two-dimensional (2D) valleytronic materials has an essential impact on the design of spintronic and valleytronic devices. Our first principles calculation results reveal that the Janus SWSiX2 (X = N, P, As) monolayer has excellent dynamical and thermal stability. Owing to strong spin-orbit coupling (SOC), the SWSiX2 monolayer exhibits a valence band spin splitting of up to 0.49 eV, making it promising 2D semiconductor for valleytronic applications. The opposite Berry curvatures and optical selection rules lead to the coexistence of valley and spin Hall effects in the SWSiX2 monolayer. Moreover, the optical transition energies can be remarkably modulated by the in-plane strains. Large tensile (compressive) inplane strains can achieve spin flipping in the SWSiN2 monolayer, and induce both SWSiP2 and SWSiAs2 monolayers transit from semiconductor to metal. Our research provides new 2D semiconductor candidates for designing high-performance valleytronic devices.

Search for an antiferromagnetic Weyl semimetal in (MnTe) m (Sb2Te3) n and (MnTe) m (Bi2Te3) n superlattices

The interaction between topology and magnetism can lead to novel topological materials including Chern insulators, axion insulators, and Dirac and Weyl semimetals. In this work, a family of van der Waals layered materials using MnTe and Sb2Te3 or Bi2Te3 superlattices as building blocks are systematically examined in a search for antiferromagnetic Weyl semimetals, preferably with a simple node structure. The approach is based on controlling the strength of the exchange interaction as a function of layer composition to induce the phase transition between the topological and the normal insulators. Our calculations, utilizing a combination of first-principles density functional theory and tight-binding analyses based on maximally localized Wannier functions, clearly indicate a promising candidate for a type-I magnetic Weyl semimetal. This centrosymmetric material, Mn10Sb8Te22 (or (MnTe) m (Sb2Te3) n with m = 10 and n = 4), shows ferromagnetic intralayer and antiferromagnetic interlayer interactions in the antiferromagnetic ground state. The obtained electronic bandstructure also exhibits a single pair of Weyl points in the spin-split bands consistent with a Weyl semimetal. The presence of Weyl nodes is further verified with Berry curvature, Wannier charge center, and surface state (i.e. Fermi arc) calculations. Other combinations of the MnSbTe-family materials are found to be antiferromagnetic topological or normal insulators on either side of the Mn:Sb ratio, respectively, illustrating the topological phase transition as anticipated. A similar investigation in the homologous (MnTe) m (Bi2Te3) n system produces mostly nontrivial antiferromagnetic insulators due to the strong spin–orbit coupling. When realized, the antiferromagnetic Weyl semimetals in the simplest form (i.e. a single pair of Weyl nodes) are expected to provide a promising candidate for low-power spintronic applications.

Orientation-dependent Andreev reflection in an altermagnet/altermagnet/superconductor junction

Altermagnets, an emerging class of magnetic materials distinguished by a significant non-relativistic spin splitting band structure but zero net macroscopic magnetization, have recently received considerable attention. Here, we present a theoretical study focusing on the orientation-dependent conductance induced by Andreev reflection (AR) at an altermagnet/altermagnet/superconductor junction. Conventional and equal-spin AR processes occur when the Néel vector directions of the AMs are non-collinear and controllable by the altermagnet’s orientation θ and Néel vector direction α. The conductance spectra resemble ferromagnet/ferromagnet/superconductor junctions with parallel or antiparallel magnetization configurations, depending on θ and α. Both the anisotropic altermagnetic state and the equal-spin AR signature can be probed by studying conductance spectra. These findings suggest that altermagnet/superconductor junctions are promising platforms for future superconducting spintronics applications.

Exploring spin photovoltaics in defective armchair phosphorene nanoribbons

This study explores the spin photovoltaic potential within armchair phosphorene nanoribbons (APNRs) that feature a periodic distribution of monovacancies (MVs) under the influence of light radiation. We investigate spin-semiconducting behavior induced by MV defects by utilizing both the mean-field Hubbard approximation and the self-consistent non-equilibrium Green's function model. This behavior is characterized by localized and anisotropic band structures around the Fermi energy, particularly within the antiferromagnetic phase. The existence of spin-splitting band gaps in defective APNRs not only enables the crafting of spin-optoelectronic nanodevices but also allows for the manipulation of electronic structure behavior with applied electric fields in both the vertical and transverse directions. Notably, the implementation of electric fields, offering tunability in electronic structure, results in varied spin photovoltaic responses encompassing a broad spectrum of photon energies from visible to ultraviolet. This research reveals promising avenues for advancing the field of spin-optoelectronic devices by MVs in APNRs.

Realizing Altermagnetism in Fermi-Hubbard Models with Ultracold Atoms.

Altermagnetism represents a type of collinear magnetism, that is in some aspects distinct from ferromagnetism and from conventional antiferromagnetism. In contrast to the latter, sublattices of opposite spin are related by spatial rotations and not only by translations and inversions. As a result, altermagnets have spin-split bands leading to unique experimental signatures. Here, we show theoretically how a d-wave altermagnetic phase can be realized with ultracold fermionic atoms in optical lattices. We propose an altermagnetic Hubbard model with anisotropic next-nearest neighbor hopping and obtain the Hartree-Fock phase diagram. The altermagnetic phase separates in a metallic and an insulating phase and is robust over a large parameter regime. We show that one of the defining characteristics of altermagnetism, the anisotropic spin transport, can be probed with trap-expansion experiments.

A tool to check whether a symmetry-compensated collinear magnetic material is antiferro- or altermagnetic

Altermagnets (AM) is a recently discovered class of collinear magnets that share some properties (anomalous transport, etc) with ferromagnets, some (zero net magnetization) with antiferromagnets, while also exhibiting unique properties (spin-splitting of electronic bands and resulting spin-splitter current). Since the moment compensation in AM is driven by symmetry, it must be possible to identify them by analyzing the crystal structure directly, without computing the electronic structure. Given the significant potential of AM for spintronics, it is very useful to have a tool for such an analysis. This work presents an open-access code implementing such a direct check.

Codebase release r1.0 for amcheck

Altermagnets (AM) is a recently discovered class of collinear magnets that share some properties (anomalous transport, etc) with ferromagnets, some (zero net magnetization) with antiferromagnets, while also exhibiting unique properties (spin-splitting of electronic bands and resulting spin-splitter current). Since the moment compensation in AM is driven by symmetry, it must be possible to identify them by analyzing the crystal structure directly, without computing the electronic structure. Given the significant potential of AM for spintronics, it is very useful to have a tool for such an analysis. This work presents an open-access code implementing such a direct check.

2D perovskite Ca2Nb3O10 nanosheet featuring Berry curvature dipole and canted persistent spin texture reversible with in-plane ferroelectricity

Two-dimensional materials can result in rich and unique electronic features through symmetry breaking. A wide band gap 2D perovskite Ca2Nb3O10 (CNO) nanosheet is investigated for exotic electronic or spin-related properties using state-of-the-art first-principles calculations. The CNO nanosheet exhibits spontaneous in-plane ferroelectric polarization confined in the y direction owing to the low symmetry of the crystal structure. A canted persistent spin texture (PST) can be observed in spin-split bands, which depict a unidirectional spin configuration tilted along the yz-plane. A correlation between the canted PST and ferroelectricity has been found, as in-plane ferroelectric switching can successfully reverse the typical PST. The nonvanishing Berry curvature dipole (BCD) resulting from the interplay of spin–orbit coupling (SOC) and inversion symmetry breaking is also reversible with in-plane ferroelectric polarization. Therefore, the possibility of fully electrically adjustable canted PST and BCD in a 2D perovskite CNO nanosheet provides a pathway toward creating affordable, non-volatile spintronic devices.

Interplay of altermagnetism and weak ferromagnetism in two-dimensional RuF4

Gaining growing attention in spintronics is a class of magnets displaying zero net magnetization and spin-split electronic bands called altermagnets. Here, by combining density functional theory and symmetry analysis, we show that RuF4 monolayer is a two-dimensional (2D) d-wave altermagnet. Spin–orbit coupling leads to pronounced spin splitting of the electronic bands at the Γ point by ∼100meV and turns the RuF4 into a weak ferromagnet due to nontrivial spin-momentum locking that cants the Ru magnetic moments. The net magnetic moment scales linearly with the spin–orbit coupling strength. Using group theory we derive an effective spin Hamiltonian capturing the spin-splitting and spin-momentum locking of the electronic bands. Disentanglement of the altermagnetic and spin–orbit coupling induced spin splitting uncovers to which extent the altermagnetic properties are affected by the spin–orbit coupling. Our results move the spotlight to the nontrivial spin-momentum locking and weak ferromagnetism in the 2D altermagnets relevant for novel venues in this emerging field of material science research.