Spin Hall Conductivity Research Articles

Accelerating spin Hall conductivity predictions via machine learning

AbstractAccurately predicting the spin Hall conductivity (SHC) is crucial for designing novel spintronic devices that leverage the spin Hall effect. First‐principles calculations of SHCs are computationally intensive and unsuitable for quick high‐throughput screening. Here, we have developed a residual crystal graph convolutional neural network (Res‐CGCNN) deep learning model to classify and predict SHCs solely based on the structural and compositional information. This is enabled by having access to 9249 instances of SHCs data and incorporating extra residual networks into the standard CGCNN framework. We found that Res‐CGCNN surpasses CGCNN, achieving a mean absolute error of 115.4 (ℏ/e) (S/cm) for regression and an area under the receiver operating characteristic curve of 0.86 for classification. Additionally, we utilized Res‐CGCNN to conduct high‐throughput screenings of materials in the Materials Project database that were absent in the training set. This led to the prediction of several previously unreported materials displaying large SHCs exceeding 1000 (ℏ/e) (S/cm), which were validated through first‐principles calculations. This study represents the inaugural endeavor to construct a machine learning model capable of effectively capturing the intricate nonlinear relationship between SHCs and crystal structure and composition, serving as a useful tool for the efficient screening and design of materials exhibiting high SHCs.

Enhanced spin Hall ratio in two-dimensional semiconductors

The conversion efficiency from charge current to spin current via the spin Hall effect is evaluated by the spin Hall ratio (SHR). Through state-of-the-art ab initio calculations involving both charge conductivity and spin Hall conductivity, we report the SHRs of the III-V monolayer family, revealing an ultrahigh ratio of 0.58 in the hole-doped GaAs monolayer. In order to find more promising 2D materials, a descriptor for high SHR is proposed and applied to a high-throughput database, which provides the fully relativistic band structures and Wannier Hamiltonians of 216 exfoliable monolayer semiconductors and has been released to the community. Among potential candidates for high SHR, the MXene monolayer Sc2CCl2 is identified with the proposed descriptor and confirmed by computation, demonstrating the descriptor validity for high SHR materials discovery.

Strain-dependent Rashba effect, and spin Hall conductivity in the altermagnetic Janus V2SeTeO monolayer

Strain-dependent Rashba effect, and spin Hall conductivity in the altermagnetic Janus V2SeTeO monolayer

Dimensionality-mediated type-II Dirac semimetal to quantum spin Hall insulator phase transition in TiC

We present first-principles results on monolayer (ML) and bulk titanium carbide (TiC) exhibiting dual topological characteristics: a quantum spin Hall insulator state in two-dimensional ML and a type-II Dirac semimetal state in its three-dimensional bulk form. The nontrivial nature of ML TiC is confirmed through the calculation of a Z2 invariant, spin Hall conductivity, and edge states. The edge band structure of ML TiC displays a single pair of gapless edge states at the M point. The insulating topological phase in ML TiC is driven by a band inversion around the M point involving Ti-d orbitals, with a nontrivial band gap of 0.47 eV. Our findings also indicate that ML TiC possesses excellent dynamical and thermal stability. Moreover, the bulk, ML hollow sphere arrays, and a 4-nm-thick film of TiC have already been synthesized, suggesting the high feasibility of the experimental synthesizing of ML TiC. On the other hand, we demonstrate that the bulk TiC hosts both a type-II Dirac cone and a topological nodal surface without spin-orbit coupling, protected by a combined symmetry of inversion and time reversal. The presence of spin-orbit coupling removes the nodal surface while preserving the type-II Dirac cone. Surface states connecting bulk Dirac nodes in bulk TiC can be readily observed, making the surface characteristics easily detectable in experiments. Published by the American Physical Society 2024

Optical control of berry curvature in gated WSe2 bilayers

Abstract Unlike single layers of 2H transition metal dichalcogenides (TMDCs), bilayers of 2H TMDCs maintain inversion and time reversal (TR) symmetries, resulting in a vanishing Berry curvature ( Ω ( k ) ∼ 0 ) that inhibits various potential transport phenomena. A nonzero Berry curvature ( Ω ( k ) ≠ 0 ) is imperative for the occurrence of several unconventional transport phenomena, including the anomalous Hall effect and the anomalous Nernst effect. To overcome this limitation, we break these symmetries in bilayer TMDCs using electrostatic gating and circularly polarized light as external means. For non-gated WSe2 bilayers, circularly polarized light breaks TR symmetry, creating a finite Berry curvature signal in both conduction and valence bands, controllable by light intensity and its polarity. In gated WSe2 bilayers, where inversion symmetry is also broken, we observe a sign reversal in Berry curvature within the conduction bands, the extent of which depends on the relative strengths of the electric gating and light intensity. Overall, under finite bias and light intensity, the 2H bilayers of WSe2 exhibits finite spin Hall, valley Hall, and anomalous Hall conductivities, which depend on the strengths of the applied perturbations.

Anticipation of Large Intrinsic Spin Hall Conductivity in Mercury Chalcogenides: A First‐Principles Study

AbstractThe report carried out detailed first‐principle calculations of Mercury chalcogenides (HgX; X = Te, Se and S) using density functional theory, verifying the bulk band inversion property with different exchange‐correlation functionals. The Wannier function method is used to study the non‐trivial topology of HgX systems, spin Berry curvature, and intrinsic spin Hall conductivity. Quantized intrinsic spin Hall conductivity is observed in the HgX systems. Large intrinsic spin Hall conductivity is found in the systems due to a strong spin Berry curvature accumulation near the triply degenerate points in the Brillouin zone. Calculation shows that the intrinsic spin Hall conductivity for all three HgX systems has stable plateaus, with Mercury Telluride having a maximum width of up to 1.05 eV. The maximum intrinsic spin Hall conductivity of –931/e () is obtained in mercury sulfide, higher than the reported values for spin Hall conductivity and the plateau width in typical topological insulators such as , , and as well as in transition metal pnictides (TaX, X = As, P and N) and transition metal iridates.

Conflux of spin Nernst and spin Hall effect in ZnCu2SnSe4 Topological Insulator

A comprehensive exploration of the intriguing phenomena known as the spin Nernst effect (SNE) and the spin Hall effect (SHE) within the context of nonmagnetic strong topological insulatorZnCu2SnSe4, has been carried out employing first-principles calculations. Our theoretical calculations unveil significantly large intrinsic spin Nernst conductivity (SNC) and spin Hall conductivity (SHC) in the bulk topological insulatorZnCu2SnSe4. Delving deeper into the intricacies of our findings, we elucidate how the inverted band order in the topological materials drastically influences the spin Berry curvature, consequently exerting a profound impact on SHC and SNC. Detailed analyses reveal that the contribution from the bulk to the generation of pure spin current in a topological insulator is comparable to that of a surface. This underscores the potential role of topological insulators in the development of spin-switching devices. We present compelling evidence thatZnCu2SnSe4holds immense promise as an optimal candidate for the generation of pure spin currents, achieved through the application of both thermal gradients and electric fields. This, in turn, opens up exciting avenues for its utilization in the realms of spin-caloritronics, spin-orbitronics, and spintronics.

Layer-Dependent Quantum Anomalous Hall and Quantum Spin Hall Effects in Two-Dimensional LiFeTe.

The emergence of an intrinsic quantum anomalous Hall (QAH) insulator with long-range magnetic order triggers unprecedented prosperity for combining topology and magnetism in low dimensions. Here, based on stacked two-dimensional LiFeTe, we confirm that magnetic coupling and topological electronic states can be simultaneously manipulated by just changing the layer numbers. Monolayer LiFeTe shows intralayer ferrimagnetic coupling, behaving as a QAH insulator with Chern number C = 2. Beyond the monolayer, the odd and even layers of LiFeTe correspond to uncompensated and compensated interlayer antiferromagnets, resulting in unexpected QAH and quantum spin Hall (QSH) states, respectively. Moreover, the spin Chern number is proportional to the stacking layer numbers in even-layer LiFeTe, proving that the spin Hall conductivity can be continuously enhanced by increasing layer numbers. Therefore, the odd-even-layer-dependent QAH and QSH effects found in LiFeTe topological insulators offer new insight into regulating quantum states in two-dimensional topological materials.

Two-dimensional chiral perovskites with large spin Hall angle and collinear spin Hall conductivity.

Two-dimensional hybrid organic-inorganic perovskites with chiral spin texture are emergent spin-optoelectronic materials. Despite the wealth of chiro-optical studies on these materials, their charge-to-spin conversion efficiency is unknown. We demonstrate highly efficient electrically driven charge-to-spin conversion in enantiopure chiral perovskites (R/S-MB)2(MA)3Pb4I13 (〈n〉 = 4), where MB is 2-methylbutylamine, MA is methylamine, Pb is lead, and I is iodine. Using scanning photovoltage microscopy, we measured a spin Hall angle θsh of 5% and a spin lifetime of ~75 picoseconds at room temperature in 〈n〉 = 4 chiral perovskites, which is much larger than its racemic counterpart as well as the lower 〈n〉 homologs. In addition to current-induced transverse spin current, the presence of a coexisting out-of-plane spin current confirms that both conventional and collinear spin Hall conductivities exist in these low-dimensional crystals.

Spin Hall effect in doped ferroelectric HfO2

The spin Hall effect (SHE) enables charge-to-spin conversion by electrical means and is promising for spintronic applications. Here, we report on the intrinsic spin Hall effect in the prototypical ferroelectric material HfO2 with charge doping using density functional theory calculations and theoretical analysis. We show that ferroelectric displacements are insensitive to charge doping and are sustained up to a large doping concentration of 0.4 electrons or holes per unit cell volume. In addition, the large spin Hall conductivity in the vicinity of the band edges is well preserved. Intriguingly, we demonstrate the giant spin Hall efficiency characterized by the sizable spin Hall angle of ∼0.1 in doped HfO2. These results add unexplored functionality to ferroelectric HfO2 and open opportunities for potential device applications.

First principles prediction of novel quantum topological insulator state in two-dimensional XMg2Bi2 (X=Eu/Yb)

Topological insulator (TIs), a novel quantum state of materials, has a lot of significance in the development of low-power electronic equipments as the conducting edge states display exceptional endurance against back-scattering. The absence of suitable materials with high fabrication feasibility and significant nontrivial bandgap, is now the biggest hurdle in their potential applications in devices. Here, we illustrate using first principles density functional calculations that the quintuplet layers of EuMg2Bi2 and YbMg2Bi2 crystals are potential two-dimensional TIs with a sizeable nontrivial gaps of 72 meV and 147 meV respectively. Dynamical stability of these quintuplet layers of EuMg2Bi2 and YbMg2Bi2 is confirmed by our phonon calculations. The weakly coupled layered structure of parent compounds makes it possible for simple exfoliation from a three-dimensional structure. We observed gapless edge states inside the bulk band gap in both the systems which indicate their TI nature. Further, we observed the anomalous and spin Hall conductivities to be quantized in two dimensional EuMg2Bi2 and YbMg2Bi2 respectively. Our findings predict two viable candidate materials as two dimensional quantum TIs which can be explored by future experimental investigations and possible applications of quantized spin and anomalous Hall conductance in spintronics.

Topological Quantum Transport Characteristic by Three‐band Correlation Mechanism in 2D SnSe

AbstractUnderstanding electron quantum transport and their coupling interactions in 2D matrix is crucial for manipulating and designing more efficient energy conversion devices, especially in the context of spin transport. Here, we systematically calculate the electronic dispersion properties which the synergistic interaction of the three‐band accounted for the topological transport of edge correlated electrons. The helical state protected by the topology appears at the boundary, accompanied by the upward movement (∼0.2 eV) of the helical point caused by the excitation and the loop channel, which the weak braiding effect reveal local strongly correlated interactions between the boundary electrons. In addition, we also introduce spin Hall conductance and Z2 topological invariants to describe the election dispersion of the topological transport. This provides more possibilities for the realization of topological quantum computing application.

Quantum spin Hall insulating phase in two-dimensional MA2Z4 materials: SrTl2Te4 and BaTl2Te4

With the recent synthesis of two-dimensional (2D) MoSi2N4, the 2D material family with the general formula MA2Z4 has become increasingly popular. However, their topological properties have yet to be explored. Using first-principles calculations, we examine the electronic and topological properties of monolayer MA2Z4 (M = Ca, Sr, or Ba; A = In or Tl; Z = S, Se, or Te) compounds. Our study reveals the quantum spin Hall phase in SrTl2Te4 and BaTl2Te4 with a nontrivial topological bandgap of 97 and 28 meV, respectively, under a hybrid functional approach with the inclusion of spin–orbit coupling. Remarkably, the Z2 topological invariant and the presence of gapless edge states further confirmed their nontrivial topological phase. In addition, we demonstrate the quantized spin Hall conductivity in SrTl2Te4, which stems from the non-zero Berry curvature. The topological phase transition is driven by SOC due to the band inversion between the Te-px+py and Tl-s orbitals around Γ. Interestingly, the nontrivial topological properties are robust against strain and preserved under an applied electric field. Finally, our research identifies that the emergent MA2Z4 monolayers have interesting topological properties and have great potential for experimental realization of future topological applications.

Large out-of-plane spin–orbit torque in topological Weyl semimetal TaIrTe4

The unique electronic properties of topological quantum materials, such as protected surface states and exotic quasiparticles, can provide an out-of-plane spin-polarized current needed for external field-free magnetization switching of magnets with perpendicular magnetic anisotropy. Conventional spin–orbit torque (SOT) materials provide only an in-plane spin-polarized current, and recently explored materials with lower crystal symmetries provide very low out-of-plane spin-polarized current components, which are not suitable for energy-efficient SOT applications. Here, we demonstrate a large out-of-plane damping-like SOT at room temperature using the topological Weyl semimetal candidate TaIrTe4 with a lower crystal symmetry. We performed spin–torque ferromagnetic resonance (STFMR) and second harmonic Hall measurements on devices based on TaIrTe4/Ni80Fe20 heterostructures and observed a large out-of-plane damping-like SOT efficiency. The out-of-plane spin Hall conductivity is estimated to be (4.05 ± 0.23)×104 (ℏ ⁄ 2e) (Ωm)−1, which is an order of magnitude higher than the reported values in other materials.

Field‐Free Switching of Perpendicular Magnetization by Anisotropic Spin Hall Effect in Mn3Ir

AbstractManipulation of the magnetization by spin‐orbit torque (SOT) stands as a crucial advancement in spintronics due to its merits in energy‐efficient and high‐speed operation. However, the conventional SOT devices involving a heavy metal/ferromagnet cannot deterministically switch the perpendicularly magnetized ferromagnet without an external magnetic field, which hinders its practical implementation. Here, room temperature field‐free switching for perpendicularly magnetized ferromagnets is demonstrated using spin currents with the out‐of‐plane spin polarization induced by noncollinear antiferromagnets L12‐Mn3Ir. Both in‐plane and out‐of‐plane spin polarizations are observed, and the tilting angle of the spin polarization is estimated to be ≈10°. The spin Hall conductivity of out‐of‐plane spin is 1.43 × 104 ћ/2e·Ω−1m−1, which is the largest among several 2D and antiferromagnetic materials, including WTe2, RuO2, and Mn3GaN. Furthermore, field‐free SOT switching is demonstrated with an ns‐current pulse, and the current density is comparable with the reported values of the field‐assisted pulse switching. This work paves the way for employing noncollinear antiferromagnets for wafer‐scale spintronic device applications.

Interfacial Modulation of Spin-Orbit Torques Induced by Two-Dimensional van der Waals Material ZrSe3.

Two-dimensional van der Waals (2D vdW) materials are widely used in spin-orbit torque (SOT) devices. Recent studies have demonstrated the low crystal symmetry and large spin Hall conductivity of 2D vdW ZrSe3, indicating its potential applications in low-power SOT devices. Here, we study the interfacial contribution of SOTs and current-induced magnetization switching in the ZrSe3/Py (Ni80Fe20) and ZrSe3/Cu/Py heterostructures. SOT efficiencies of samples are detected by the spin-torque ferromagnetic resonance (ST-FMR), and out-of-plane damping-like torque (τB) is observed. The ratio between τB and the field-like torque (τA) decreases from 0.175 to 0.138 when inserting 1 nm Cu at the interface and then drops to 0.001 when the thickness of Cu intercalation is 2 nm, indicating that Cu intercalation inhibits the τB component of SOT. Moreover, the SOT efficiency is increased from 3.05 to 5.21, which may be attributed to the Cu intercalation being beneficial to improve the interface between Py and ZrSe3. Theoretical calculation has shown that the Cu spacer can change the conductivity of ZrSe3 from semiconductor to conductor, thereby decreasing the Schottky barrier and increasing the transmission efficiency of the spin current. Furthermore, magneto-optical Kerr effect (MOKE) microscopy is employed to verify the current-driven magnetization switching in these structures. In comparison to the ZrSe3/Py bilayer, the critical current density of ZrSe3/Cu/Py is reduced when inserting 1 nm Cu, demonstrating the higher SOT efficiency and lower power consumption in ZrSe3/Cu/Py structures.

Rashba spin-splitting and spin Hall effect in Janus monolayers Sb2XSX’ (X, X’= S, Se, or Te; X ≠ X’)

The combined influence of spin–orbit coupling and spatial inversion asymmetry leads to an enhancement of electronic properties, including Rashba spin-splittings as well as spin Hall effect. Recent research has shown the possibility to create two-dimensional Janus materials with inherent structural asymmetry. In this work, the structural stability, piezoelectricity, electronic properties, and intrinsic spin Hall conductivity of quintuple-layer atomic Janus Sb2XSX’ (X, X’ = S, Se, Te; X ≠ X’) monolayers are investigated using first-principles calculations within the framework of density functional theory. They demonstrate relatively high in-plane piezoelectric coefficients (d22) and also possess out-of-plane piezoelectric coefficients (d31), which is due to the breaking of inversion symmetry in the crystal structure with the space group P3m1. Large Rashba parameters are obtained in Janus Sb2XSX’ monolayers, especially high for Sb2S2Te (1.62 eV Å) and Sb2SeSTe (1.33 eV Å) due to strong spin–orbit coupling. Moreover, Rashba-like spin-splitting is also observed in the edge-states as well, which is highest for Sb2SeSTe with 2.17 eV Å. Furthermore, Sb2S2Te and Sb2SeSTe monolayers reveal a significantly high Berry curvature (65.59 and 61.05 Bohr2), spin Berry curvature (−118.4 and −120.6 Bohr2), and spin Hall conductivity (1.8 and 1.6 e2/h). Our results suggest that Janus Sb2S2Te and Sb2SeSTe monolayers could be an excellent platform for multifunctional electronic applications.

Critical enhancement of the spin Hall effect by spin fluctuations

The spin Hall (SH) effect, the conversion of the electric current to the spin current along the transverse direction, relies on the relativistic spin-orbit coupling (SOC). Here, we develop a microscopic theory on the mechanisms of the SH effect in magnetic metals, where itinerant electrons are coupled with localized magnetic moments via the Hund exchange interaction and the SOC. Both antiferromagnetic metals and ferromagnetic metals are considered. It is shown that the SH conductivity can be significantly enhanced by the spin fluctuation when approaching the magnetic transition temperature of both cases. For antiferromagnetic metals, the pure SH effect appears in the entire temperature range, while for ferromagnetic metals, the pure SH effect is expected to be replaced by the anomalous Hall effect below the transition temperature. We discuss possible experimental realizations and the effect of the quantum criticality when the antiferromagnetic transition temperature is tuned to zero temperature.

Epitaxial Growth of Large-Scale 2D CrTe2 Films on Amorphous Silicon Wafers With Low Thermal Budget.

2D van der Waals (vdW) magnets open landmark horizons in the development of innovative spintronic device architectures. However, their fabrication with large scale poses challenges due to high synthesis temperatures (>500 °C) and difficulties in integrating them with standard complementary metal-oxide semiconductor (CMOS) technology on amorphous substrates such as silicon oxide (SiO2) and silicon nitride (SiNx). Here, a seeded growth technique for crystallizing CrTe2 films on amorphous SiNx/Si and SiO2/Si substrates with a low thermal budget is presented. This fabrication process optimizes large-scale, granular atomic layers on amorphous substrates, yielding a substantial coercivity of 11.5 kilo-oersted, attributed to weak intergranular exchange coupling. Field-driven Néel-type stripe domain dynamics explain the amplified coercivity. Moreover, the granular CrTe2 devices on Si wafers display significantly enhanced magnetoresistance, more than doubling that of single-crystalline counterparts. Current-assisted magnetization switching, enabled by a substantial spin-orbit torque with a large spin Hall angle (85) and spin Hall conductivity (1.02 × 107 ℏ/2e Ω⁻¹ m⁻¹), is also demonstrated. These observations underscore the proficiency in manipulating crystallinity within integrated 2D magnetic films on Si wafers, paving the way for large-scale batch manufacturing of practical magnetoelectronic and spintronic devices, heralding a new era of technological innovation.

Spin-fluctuation-induced sign reversal of the spin Hall angle in Pt100−x Co x alloys near the Curie temperature

The spin Hall effect (SHE), typically emerging in non-magnetic metals with strong spin-orbit couplings, has attracted significant attention for its ability to convert a charge current into a spin current, a key feature in power-efficient spintronic devices. Recently, an enhanced SHE has been detected in the magnetic alloys, where the spin Hall conductivity is strongly modified by the dynamical and thermal spin fluctuations. We find that the spin Hall angle ( θSH ) in Pt100−x Co x alloys dramatically changes at the Curie temperature, which is positive in the paramagnetic phase akin to Pt, while negative in the ferromagnetic phase. Such intriguing behavior of θSH stemming from individual and collective fluctuations in the magnetic moments is further substantiated with the full-fledged Monte Carlo simulations. Our work broadens insights into the SHE and highlights the importance of spin fluctuations for the spin-current generation near the ferromagnetic instability point of magnetic alloys.