We theoretically predict that vanadium-based Janus dichalcogenide monolayers constitute an ideal platform for spin-orbit-torque memories. Using first principles calculations, we demonstrate that magnetic exchange and magnetic anisotropy energies are higher for heavier chalcogen atoms, while the broken inversion symmetry in the Janus form leads to the emergence of Rashba-like spin-orbit coupling. The spin-orbit torque efficiency is evaluated using optimized quantum transport methodology and found to be comparable to heavy nonmagnetic metals. The coexistence of magnetism and spin-orbit coupling in such materials with tunable Fermi-level opens new possibilities for monitoring magnetization dynamics in the perspective of non-volatile magnetic random access memories.
Janus transition metal dichalcogenides (TMDs) lose the horizontal mirror symmetry of ordinary TMDs, leading to the emergence of additional features, such as native piezoelectricity, Rashba effect, and enhanced catalytic activity. While Raman spectroscopy is an essential nondestructive, phase- and composition-sensitive tool to monitor the synthesis of materials, a comprehensive study of the Raman spectrum of Janus monolayers is still missing. Here, we discuss the Raman spectra of WSSe and MoSSe measured at room and cryogenic temperatures, near and off resonance. By combining polarization-resolv…
In this work, we propose novel two-dimensional (2D) Janus Ni dichalcogenide materials and explore their feasibility, stability and evaluate their electronic and optical properties with ab-initio calculations. Three unique Janus materials, namely NiSSe, NiSTe and NiSeTe, based on the 2H hexagonal polytype of NiS2, NiSe2 and NiTe2 were proposed. Density functional theory (DFT) calculations, show that among the three proposed NiXY Janus 2D materials, NiSSe had the best energetic and dynamical stability. GGA PBE calculations showed NiSSe to have a semi-metallic bandstructure with the Ni-Se interac…
Intrinsic characteristic radius drives phonon anomalies in Janus transition metal dichalcogenide nanotubes
School of Mechatronic Engineering and Automation, Shanghai University（上海大学机电工程与自动化学院）；Shanghai Key Laboratory of Mechanics in Energy Engineering, Shanghai Institute of Applied Mathematics and Mechanics, Shanghai Frontier Science Center of Mechanoinformatics, School of Mechanics and Engineering Science, Shanghai University（上海大学力学与工程科学学院）
Strong structural asymmetry is actively explored in two-dimensional (2D) materials, because it can give rise to many interesting physical properties. Motivated by the recent synthesis of monolayer $\mathrm{Si_2Te_2}$, we explore a family of 2D materials, termed as the Janus Si dichalcogenides (JSD), which parallel the Janus transition metal dichalcogenides and exhibit even stronger inversion asymmetry. Using first-principles calculations, we demonstrate excellent stability of these materials. We show that their strong structural asymmetry leads to pronounced intrinsic polar field, sizable spin…
Converting solar energy into chemical energy by splitting water is a promising means to generate a sustainable and renewable solution without detrimental environmental impact. The two-dimensional semiconductors serve as potential catalysts in this regard, and here we combine Janus transition-metal dichalcogenides (MoXY, X/Y = S, Se, Te) and graphitic carbon nitride in a van der Waals heterostructure. Within the first-principles calculations, we investigate the electronic, optical and excitonic properties that determine the photocatalytic activity. Due to the internal electric field, the photog…
Janus dichalcogenide multilayers provide a paradigmatic platform to engineer electronic phenomena dominated by spin-orbit coupling. Their unique spin-orbit effects stem from local mirror symmetry breaking in each layer, which induces a colossal Rashba spin-orbit effect in comparison with the conventional dichalcogenide counterparts. Here we put forward twisted dichalcogenide bilayers as a simple platform to realize spin-orbit correlated states. We demonstrate the emergence of flat bands featuring strong spin-momentum locking and the emergence of non-collinear symmetry broken states when intera…
We reveal giant proximity-induced magnetism and valley-polarization effects in Janus Pt dichalcogenides (such as SPtSe), when bound to the Europium oxide (EuO) substrate. Using first-principles simulations, it is surprisingly found that the charge redistribution, resulting from proximity with EuO, leads to the formation of two K and K$^{'}$valleys in the conduction bands. Each of these valleys displays its own spin polarization and a specific spin-texture dictated by broken inversion and time-reversal symmetries, and valley-exchange and Rashba splittings as large as hundreds of meV. This provi…
Motivated by recent observations of unconventional out-of-plane dampinglike torque in \ch{WTe2}/Permalloy bilayer systems, we calculate the spin-orbit torque generated in two-dimensional transition metal dichalcogenide (TMD)-ferromagnet heterostructures using first-principles methods and linear response theory. Our numerical calculation of spin-orbit torques in \ch{WTe2}/Co and \ch{MoTe2}/Co heterostructures shows both conventional and novel dampinglike torkances (torque per electric field) with comparable magnitude, around $100~\hbar/2e~(\rm Ω\cdot cm)^{-1}$, for an electric field applied per…
The electronic and optoelectronic properties of two dimensional materials have been extensively explored in graphene and layered transition metal dichalcogenides (TMDs). Spintronics in these two-dimensional materials could provide novel opportunities for future electronics, for example, efficient generation of spin current, which should enable the efficient manipulation of magnetic elements. So far, the quantitative determination of charge current induced spin current and spin-orbit torques (SOTs) on the magnetic layer adjacent to two-dimensional materials is still lacking. Here, we report a l…
Janus transition-metal dichalcogenide monolayers are fully artificial materials, where one plane of chalcogen atoms is replaced by chalcogen atoms of a different type. Theory predicts an in-built out-of-plane electric field, giving rise to long-lived, dipolar excitons, while preserving direct-bandgap optical transitions in a uniform potential landscape. Previous Janus studies had broad photoluminescence (>15 meV) spectra obfuscating their excitonic origin. Here, we identify the neutral, and negatively charged inter- and intravalley exciton transitions in Janus WSeS monolayer with $\sim 6$ meV …
The Janus structure, by combining properties of different transition metal dichalcogenide (TMD) monolayers in a single polar material, has attracted increasing research interest because of their particular structure and potential application in electronics, optoelectronics and piezoelectronics. In this work, Janus SnSSe monolayer is predicted by means of first-principles calculations, which exhibits dynamic and mechanical stability. By using generalized gradient approximation (GGA) plus spin-orbit coupling (SOC), the Janus SnSSe monolayer is found to be an indirect band-gap semiconductor, whos…
The bilayer heterostructures composed of an ultrathin ferromagnetic metal (FM) and a material hosting strong spin-orbit (SO) coupling are principal resource for SO torque and spin-to-charge conversion nonequilibrium effects in spintronics. We demonstrate how hybridization of wavefunctions of Co layer and a monolayer of transition metal dichalcogenides (TMDs)---such as semiconducting MoSe$_2$ and WSe$_2$ or metallic TaSe$_2$---can lead to dramatic transmutation of electronic and spin structure of Co within some distance away from its interface with TMD, when compared to the bulk of Co or its su…
Single-crystal materials with sufficiently low crystal symmetry and strong spin-orbit interactions can be used to generate novel forms of spin-orbit torques on adjacent ferromagnets, such as the out-of-plane antidamping torque previously observed in WTe$_2$/ferromagnet heterostructures. Here, we present measurements of spin-orbit torques produced by the low-symmetry material $β$-MoTe$_2$, which unlike WTe$_2$ retains bulk inversion symmetry. We measure spin-orbit torques on $β$-MoTe$_2$/Permalloy heterostructures using spin-torque ferromagnetic resonance as a function of crystallographic align…
Spin-orbit torques (SOTs), which rely on spin current generation from charge current in a nonmagnetic material, promise an energy-efficient scheme for manipulating magnetization in magnetic devices. A critical topic for spintronic devices using SOTs is to enhance the charge to spin conversion efficiency. Besides, the current-induced spin polarization is usually limited to in-plane, whereas out-of-plane spin polarization could be favored for efficient perpendicular magnetization switching. Recent advances in utilizing two important classes of van der Waals materials$-$topological insulators and…
Due to their great potential in electronics, optoelectronics and piezoelectronics, Janus transition metal dichalcogenide (TMD) monolayers have attracted increasing research interest, the MoSSe of which with sandwiched S-Mo-Se structure has been synthesized experimentally. In this work, the biaxial strain dependence of electronic structures and transport properties of Janus PtSSe monolayer is systematically investigated by using generalized gradient approximation (GGA) plus spin-orbit coupling (SOC). Calculated results show that SOC has a detrimental effect on power factor of PtSSe monolayer, w…
In recent years, there has been a growing interest in spin-orbit torques (SOTs) for manipulating the magnetization in nonvolatile magnetic memory devices. SOTs rely on the spin-orbit coupling of a nonmagnetic material coupled to a ferromagnetic layer to convert an applied charge current into a torque on the magnetization of the ferromagnet (FM). Transition metal dichalcogenides (TMDs) are promising candidates for generating these torques with both high charge-to-spin conversion ratios, and symmetries and directions which are efficient for magnetization manipulation. Moreover, TMDs offer a wide…
When transition-metal dichalcogenide monolayers lack inversion symmetry, their low-energy single particle spectrum can described by tilted massive Dirac Hamiltonians. The so-called Janus materials fall into that category. Inversion symmetry can also be broken by the application of out-of-plane electric fields, or by the mere presence of a substrate. Here we explore the properties of excitons in TMDC monolayers lacking inversion symmetry. We find that exciton binding energies can be larger than the electronic band gap, making such materials promising candidates to host the elusive exciton insul…
Current-induced spin-orbit torque on the surface of a transition metal dichalcogenide connected to a two-dimensional ferromagnet CrI$_3$: Effects of twisting and gating
Shahid Chamran University of Ahvaz（阿瓦士沙希德·恰姆兰大学）；Institute for Research in Fundamental Sciences (IPM)（基础科学研究所）；Zhejiang Normal University（浙江师范大学）
Monolayer transition metal dichalcogenides are promising materials for spintronics due to their robust spin-valley locked valence states, enabling efficient charge-to-spin conversion via valley Hall effect with non-equilibrium spins possessing long spin diffusion lengths of hundreds of nanometers. In this work, we show that the injection of a pure valley current, induced by valley Hall effect in a WSe2 monolayer, imparts a spin torque on the magnetization of an overlaid Fe or CoFe in a tunneling structure. The torque efficiency is found to be comparable to that in conventional perpendicular ma…
The compositional as well as structural asymmetries in Janus transition metal dichalcogenides (J-TMDs) and their van der Waals heterostructures (vdW HSs) induce an intrinsic Rashba spin-splitting. We investigate the variation of band-gaps and the Rashba parameter in three different Janus heterostructures having AB-stacked Mo$XY$/W$XY$ ($X$, $Y$ = S, Se, Te; $X\neq Y$) geometry with a $Y-Y$ interface, using first-principles calculations. We consider the effect of external electric field and in-plane biaxial strain in tuning the strength of the intrinsic electric field, which leads to remarkable…
Recent discoveries regarding current-induced spin-orbit torques produced by heavy-metal/ferromagnet and topological-insulator/ferromagnet bilayers provide the potential for dramatically-improved efficiency in the manipulation of magnetic devices. However, in experiments performed to date, spin-orbit torques have an important limitation -- the component of torque that can compensate magnetic damping is required by symmetry to lie within the device plane. This means that spin-orbit torques can drive the most current-efficient type of magnetic reversal (antidamping switching) only for magnetic de…
We review a unified approach for computing: (i) spin-transfer torque in magnetic trilayers like spin-valves and magnetic tunnel junction, where injected charge current flows perpendicularly to interfaces; and (ii) spin-orbit torque in magnetic bilayers of the type ferromagnet/spin-orbit-coupled-material, where injected charge current flows parallel to the interface. Our approach requires to construct the torque operator for a given Hamiltonian of the device and the steady-state nonequilibrium density matrix, where the latter is expressed in terms of the nonequilibrium Green's functions and spl…
Transition metal dichalcogenides (TMDs) are promising materials for efficient generation of current-induced spin-orbit torques on an adjacent ferromagnetic layer. Numerous effects, both interfacial and bulk, have been put forward to explain the different torques previously observed. Thus far, however, there is no clear consensus on the microscopic origin underlying the spin-orbit torques observed in these TMD/ferromagnet bilayers. To shine light on the microscopic mechanisms at play, here we perform thickness dependent spin-orbit torque measurements on the semiconducting WSe$_{2}$/permalloy bi…
We show that H-phase transition metal dichalcogenides (TMDs) monolayers such as MoS$_2$ and WSe$_2$, are orbital Hall insulators. They present very large orbital Hall conductivity plateaus in their semiconducting gap, where the spin Hall conductivity vanishes. Our results open the possibility of using TMDs for orbital current injection and orbital torque transfers that surpass their spin-counterparts in spin-orbitronics devices. The orbital Hall effect (OHE) in TMD monolayers occurs even in the absence of spin-orbit coupling. It can be linked to exotic momentum-space Dresselhaus-like orbital t…
We present measurements of current-induced spin-orbit torques generated by NbSe$_2$, a fully-metallic transition-metal dichalcogenide material, made using the spin-torque ferromagnetic resonance (ST-FMR) technique with NbSe$_{2}$/Permalloy bilayers. In addition to the out-of-plane Oersted torque expected from current flow in the metallic NbSe$_{2}$ layer, we also observe an in-plane antidamping torque with torque conductivity $σ_{S} \approx 10^{3} (\hbar / 2e)$($Ω$m)$^{-1}$ and indications of a weak field-like contribution to the out-of-plane torque oriented opposite to the Oersted torque. Fur…
A damping-like spin orbit torque (SOT) is a prerequisite for ultralow power spin logic devices. Here, we report on the damping-like SOT in just one monolayer of the conducting transition metal dichalcogenide (TMD) TaS$_2$ interfaced with a NiFe (Py) ferromagnetic layer. The charge-spin conversion efficiency is found to be 0.25$\pm$0.03 and the spin Hall conductivity (2.63 $\times$ 10$^5$ $\frac{\hbar}{2e}$ $Ω^{-1}$ m$^{-1}$) is found to be superior to values reported for other TMDs. The origin of this large damping-like SOT can be found in the interfacial properties of the TaS$_2$/Py heterostr…
Graphene sandwiched between semiconducting monolayers of ferromagnet Cr$_2$Ge$_2$Te$_6$ and transition-metal dichalcogenide WS$_2$ acquires both spin-orbit (SO), of valley-Zeeman and Rashba types, and exchange couplings. Using first-principles combined with quantum transport calculations, we predict that such doubly proximitized graphene within van der Waals heterostructure will exhibit SO torque driven by unpolarized charge current. This system lacking spin Hall current, putatively considered to be necessary for efficient damping-like (DL) SO torque that plays a key role in magnetization swit…
Spin-orbit torques (SOTs) from transition metal dichalcogenides systems (TMDs) in conjunction with ferromagnetic materials are recently attractive in spintronics for their versatile features. However, most of the previously studied crystalline TMDs are prepared by mechanical exfoliation, which limits their potentials for industrial applications. Here we show that amorphous WTe2 heterostructures deposited by magnetron sputtering possess a sizable damping-like SOT efficiency ξ_DL^WTe2 ~ 0.20 and low damping constant α = 0.009/pm0.001. Only an extremely low critical switching current density J_c …
Topological phases are characterised by a topological invariant that remains unchanged by deformations in the Hamiltonian. Materials exhibiting topological phases include topological insulators, superconductors exhibiting strong spin-orbit coupling, transition metal dichalcogenides, which can be made atomically thin and have direct band gaps, as well as high mobility Weyl and Dirac semimetals. Devices harnessing topological electron states include topological (spin) transistors, spin-orbit torque devices, non-linear electrical and optical systems, and topological quantum bits.
Engineering nonlinear spin-orbit torque driven by intra-band transport in MoSe$_2$/CrI$_3$ and WSe$_2$/CrI$_3$ van der Waals heterostructures
Faculty of Science, Department of Physics, Shahid Chamran University of Ahvaz（阿瓦士沙希德·恰姆兰大学理学院物理系）；School of Quantum Physics and Matter, Institute for Research in Fundamental Sciences (IPM)（基础科学研究所量子物理与物质学院）；Department of Physics, Zhejiang Normal University（浙江师范大学物理系）
The recently discovered two-dimensional (2D) magnetic insulator CrI$_3$ is an intriguing case for basic research and spintronic applications since it is a ferromagnet in the bulk, but an antiferromagnet in bilayer form, with its magnetic ordering amenable to external manipulations. Using first-principles quantum transport approach, we predict that injecting unpolarized charge current parallel to the interface of bilayer-CrI$_3$/monolayer-TaSe$_2$ van der Waals heterostructure will induce spin-orbit torque (SOT) and thereby driven dynamics of magnetization on the first monolayer of CrI$_3$ in d…
Since the discovery of a 'giant' spin Hall effect (SHE) in certain heavy metal elements there has been an intense effort to identify and develop new and technologically viable, heavy-metal-based thin film materials that could generate spin currents with even greater efficiency to exert spin-orbit torques (SOT) on adjacent ferromagnetic nanostructures. In parallel, there have been wide ranging fundamental studies of the spin currents that can arise from robust, intrinsic spin-orbit interaction (SOI) effects in more exotic systems including topological insulators, transition metal dichalcogenide…
Spin-orbit coupling stands as a powerful tool to interconvert charge and spin currents and to manipulate the magnetization of magnetic materials through the spin torque phenomena. However, despite the diversity of existing bulk materials and the recent advent of interfacial and low-dimensional effects, control of the interconvertion at room-temperature remains elusive. Here, we unequivocally demonstrate strongly enhanced room-temperature spin-to-charge (StC) conversion in graphene driven by the proximity of a semiconducting transition metal dichalcogenide(WS2). By performing spin precession ex…
