Orbital Moment Research Articles

Room-temperature orbit-transfer torque enabling van der Waals magnetoresistive memories

The non-volatile magnetoresistive random access memory (MRAM) is believed to facilitate emerging applications, such as in-memory computing, neuromorphic computing and stochastic computing. Two-dimensional (2D) materials and their van der Waals heterostructures promote the development of MRAM technology, due to their atomically smooth interfaces and tunable physical properties. Here we report the all-2D magnetoresistive memories featuring all-electrical data reading and writing at room temperature based on WTe2/Fe3GaTe2/BN/Fe3GaTe2 heterostructures. The data reading process relies on the tunnel magnetoresistance of Fe3GaTe2/BN/Fe3GaTe2. The data writing is achieved through current induced polarization of orbital magnetic moments in WTe2, which exert torques on Fe3GaTe2, known as the orbit-transfer torque (OTT) effect. In contrast to the conventional reliance on spin moments in spin-transfer torque and spin–orbit torque, the OTT effect leverages the natural out-of-plane orbital moments, facilitating field-free perpendicular magnetization switching through interface currents. Our results indicate that the emerging OTT-MRAM is promising for low-power, high-performance memory applications.

Synthesis and Magnetic Properties of the Multiferroic [C(NH2)3]Cr(HCOO)3 Metal-Organic Framework: The Role of Spin-Orbit Coupling and Jahn-Teller Distortions.

We report for the first time the synthesis of [C(NH2)3]Cr(HCOO)3 stabilizing Cr2+ in formate perovskite, which adopts a polar structure and orders magnetically below 8 K. We discuss in detail the magnetic properties and their coupling to the crystal structure based on first-principles calculations, symmetry, and model Hamiltonian analysis. We establish a general model for the orbital magnetic moment of [C(NH2)3]M(HCOO)3 (M = Cr, Cu) based on perturbation theory, revealing the key role of the Jahn-Teller distortions. We also analyze their spin and orbital textures in k-space, which show unique characteristics.

Orbital Hanle Magnetoresistance in a 3d Transition Metal.

The Hanle magnetoresistance is a telltale signature of spin precession in nonmagnetic conductors, in which strong spin-orbit coupling generates edge spin accumulation via the spin Hall effect. Here, we report the existence of a large Hanle magnetoresistance in single layers of Mn with weak spin-orbit coupling, which we attribute to the orbital Hall effect. The simultaneous observation of a sizable Hanle magnetoresistance and vanishing small spin Hall magnetoresistance in BiYIG/Mn bilayers corroborates the orbital origin of both effects. We estimate an orbital Hall angle of 0.016, an orbital relaxation time of 2ps and diffusion length of the order of 2nm in disordered Mn. Our findings indicate that current-induced orbital moments are responsible for magnetoresistance effects comparable to or even larger than those determined by spin moments, and provide a tool to investigate nonequilibrium orbital transport phenomena.

About magnetic properties of superfluid neutron matter with spin-triplet anisotropic p-wave pairing in superstrong magnetic fields and at supranuclear densities

Magnetic properties of a dense superfluid neutron matter (relevant to the physics in cores of magnetars, namely the strongly magnetized neutron stars) at supranuclear densities n > n0 (where n0 = 0.17 fm–3 is the saturation nuclear density) with generalized Skyrme effective forces (with three density-dependent terms) and with spin-triplet anisotropic p-wave pairing (similar to 3He-A in magnetic fields, i.e. with spin S = 1 and orbital moment L = 1 of anisotropic Cooper pairs of neutrons) in the presence of a superstrong magnetic field (exceeding the 1017 G) are studied within the framework of the non-relativistic generalized Fermi-liquid theory at zero temperature. The upper limit for the density range of a neutron matter is restricted by the magnitude 3n0 in order to avoid the account of relativistic corrections growing with density. The approximate general formula (valid for any parameterization of the Skyrme forces) is derived here analytically for the magnetic susceptibility (which contains additional correction depending nonlinearly on superstrong magnetic field H and on the density n) of a superfluid neutron matter in the limit of zero temperature. The obtained general formula for magnetic susceptibility is specified for the generalized BSk21 parameterization of the Skyrme forces and figures for corresponding values are plotted on the interval 1.5n0 ≤ n ≤ 3n0 and for superstrong magnetic fields 2⋅1017 G ≤ H ≤ 2⋅1018 G. It is established that the high-density ferromagnetic instability is removed in neutron matter with the generalized Skyrme forces (in particular, with the generalized BSk21 parameterization) not only in normal, but also in superfluid neutron matter with spin-triplet anisotropic p-wave pairing at supranuclear densities and in superstrong magnetic fields.

Anomaly in the electron orbital gyromagnetic factor: QED and radiative interactions

Using standard Quantum Electrodynamics (QED), we have calculated the anomaly in the electron orbital g-factor, which is in reasonable agreement with experimental data. For second-order corrections, the anomaly in the orbital g-factor is of the order α/3π, while for approximations to the same order, the well-known anomaly in the electron spin g-factor where α = 1/137 is the structure constant. Unlike the spin-g anomaly, the orbital-g anomaly is not intrinsic, but depends on the atomic state, and on Z, the atomic mass. Thus, the orbital anomaly is actually (α/3π)D, where D includes the effect of the magnetic field and/or the atomic properties. Hence, we have shown that radiative interactions, which are the sources of the spin-g anomaly, also produce an orbital anomaly. It is physically reasonable to expect that radiative interactions that modify many physical properties of electrons in electromagnetic fields will also modify the orbital magnetic moment of the electron.

Optoelectronic Manifestation of Orbital Angular Momentum Driven by Chiral Hopping in Helical Se Chains.

Chiral materials have garnered significant attention in the field of condensed matter physics. Nevertheless, the magnetic moment induced by the chiral spatial motion of electrons in helical materials, such as elemental Te and Se, remains inadequately understood. In this work, we investigate the development of quantum angular momentum enforced by chirality by using static and time-dependent density functional theory calculations for an elemental Se chain. Our findings reveal the emergence of an unconventional orbital texture driven by the chiral geometry, giving rise to a nonvanishing current-induced orbital moment. By incorporating spin-orbit coupling, we demonstrate that current-induced spin accumulation arises in the chiral chain, which fundamentally differs from the conventional Edelstein effect. Furthermore, we demonstrate optoelectronic detection of the orbital angular momentum in the chiral Se chain, providing an alternative to the interband Berry curvature, which is ill-defined in low dimensions.

New imidazole-2-ones and their 2-thione analogues as anticancer agents and CAIX inhibitors: Synthesis, in silico ADME and molecular modeling studies

The present study involves the synthesis of a series of new imidazole-2-ones derivatives and their 2-thione analogs using conventional heating and the environmentally friendly benign technique, the microwave technique. Structure of the compounds was well elucidated by considering the data of both elemental and spectral analyses. The obtained data and theoretical values of the synthesized molecules correlated with the proposed molecular structure. Moreover, all the synthesized compounds were evaluated in vitro for antitumor activity against HCT-116 and HeP2 human cancer cell panels and assessed as selective carbonic anhydrase IX isozyme (CA9/CAIX) inhibitors, thereby providing useful preliminary evidence for drug development. In addition, computational techniques were used to investigate the molecular and electronic characteristics of the investigated organic compounds. The 4b compound exhibited the best quantum chemistry features, as the highest occupied molecular orbital, softness, energy gap, and dipole moment, indicating the highest biological activity. This was supported by the experimental findings. Moreover, the in silico evaluation of drug candidates was also investigated. Thereafter, the anticancer activity of the most reactive candidate was studied via molecular docking to determine the types of interactions between this molecule and CAIX. According to the docking experiments, the 4b molecule generates five hydrogen bond interactions with active amino acid residues, Gln 92, Gln 67, and Thr 200.

Origin of Enhancement of Orbital Magnetic Moment in SiO2-Coated Fe3O4 Nanocomposites Studied by X-ray Magnetic Circular Dichroism.

In this study, magnetic Fe3O4 nanoparticles (NPs) were dispersed uniformly by varying the thickness of the SiO2 coating, and their electronic and magnetic properties were investigated. X-ray diffraction confirmed the structural configuration of monophase inverse-spinel Fe3O4 NPs in nanometer size. Scanning electron microscopy revealed the formation of proper nonporous crystallite particles with a clear core-shell structure with silica on the surface of Fe3O4 NPs. The absorption mechanism studied through the zeta potential indicates that SiO2-coated Fe3O4 nanocomposites (SiO2@Fe3O4 NCs) possess electrostatic interactions to control their agglomeration in stabilizing suspensions by providing a protective shield of amorphous SiO2 on the oxide surface. High-resolution transmission electron microscopy images demonstrate a spherical morphology having an average grain diameter of ∼11-17 nm with increasing thickness of SiO2 coating with the addition of a quantitative presence and proportion of elements determined through elemental mapping and electron energy loss spectroscopy studies. Synchrotron-based element-specific soft X-ray absorption spectroscopy and X-ray magnetic circular dichroism (XMCD) techniques have been involved in the bulk-sensitive total fluorescence yield mode to understand the origin of magnetization in SiO2@Fe3O4 NCs. The magnetization hysteresis of Fe3O4 was determined by XMCD. At room temperature, the magnetic coercivity (Hc) is as high as 1 T, which is about 2 times more than the value of the thin film and about 5 times more pronounced than that of NPs. For noninteracting single-domain NPs with the Hc spread from 1 to 3 T, the Stoner-Wohlfarth model provided an intriguing explanation for the hysteresis curve. These curves determine the different components of Fe oxides present in the samples that derive the remnant magnetization involved in each oxidation state of Fe and clarify which Fe component is responsible for the resultant magnetism and magnetocrystalline anisotropy based on noninteracting single-domain particles.

Ab initio studies of Electronic Structure and magnetic properties of RAl(Mg)3 (R= Ce, Pr, Nd, Sm and Gd) alloys

We report the magnetic behaviour of RAl3 and R(Mg)3 (R= Ce, Pr, Nd, Sm and Gd) alloys studied through ab initio calculations based on density functional theory (DFT). The magnetic moments obtained from the all electron full potential calculations suggest strong magnetic instability in Ce compounds. The compounds with heavier rare earths (Pr, Nd, and Gd) exhibit local moment with high orbital moment, consistent with crystal field splitting of the 4fn ground state. The results obtained for SmAl3 and SmMg3 suggest possible valence fluctuation. Our calculated magnetic moments closely agree with experimental results reported in literature. We have also calculated the magnetic hyperfine field and its spin and orbital contributions. While, the total hyperfine field is dominated by the contribution from orbital magnetic moment, the Fermi contact contribution to the hyperfine field is found to scale with the spin projection factor (gJ−1)J. The calculated hyperfine field values are found to show good agreement with available experimental results.

Role of V–V dimerization on electronic and magnetic properties of ilmenite-type CoVO3

Structural, electronic and magnetic properties of ilmenite-type CoVO3 have been explored via the generalized gradient approximation + effective Hubbard U eff correction, in the framework of density functional theory. Our results indicate that high temperature rhombohedral phase is metallic with oxidation states and electronic configurations Co2+ (), V4+ (), respectively, while low temperature triclinic phase, induced from spin-Peierls transition in the V–V dimerization manner, is insulating, maintaining charge and electronic states unchanged. Furthermore, the A-type antiferromagnetic ordering, where the ferromagnetic honeycomb layers are anti-aligned along the stacking axis, is identified to be the magnetic ground state for the low temperature phase, in nice agreement with experimental findings, analogous to CoTiO3. The unexpected intralayer ferromagnetic couplings can be attributed to the intraorbital t2g −t2g exchange coupling, which was assumed to be small earlier and ignored, but actually large in honeycomb cobaltates with 3d 7 electronic configuration. In addition, the computed magnetic moment on Co2+ ion ranges from 2.5 to 2.7 μ B, Hubbard U eff dependent, close to ideal S = 3/2 state, rather than the anticipated J eff = 1/2 state. Furthermore, the supplemental calculations, taking spin-orbit coupling (SOC) into account, uncover faint orbital moments of 0.21–0.27 μ B at the Co site, illustrating the insignificance of SOC. Except for the inevitable trigonal distortions, the excessive structural distortion triggered by the formation V–V dimerization, i.e. the breaking of trigonal symmetry around Co2+, further lifts the degeneracy of t 2g orbitals and increases crystal field splitting, driving it away from potential candidates for realizing Kitaev model physics.

Rare Earth Based Iron Garnet – A Survey on Its Magnetic Properties

Garnet is a well-known material for a long-time by the scientific community but still today scientists are focusing on it due to the rapid application-based development of this material. When rare earth iron garnets (REIG) are formed by substituting the rare-earth ions with unfilled 4fn orbitals, the magnetic properties of the iron garnets exhibit an interesting characteristic. For rare earth elements, the 4f electrons are shielded from the crystal field as these are surrounded by 5s, 5p, or 5d orbitals. That is why the exchange field between rare earth ions is much smaller than that between iron-iron and rare earth-iron. The magnetic moment of REIG will be both due to the orbital and spin moment. The magnetization of REIG at different temperatures (T) is due to the dominant contribution of different sublattices. At high and low T, the dominant sublattices are iron and rare earth sublattices respectively. The magnetic and non-magnetic ion substitution in REIG also play a very important role in deciding their magnetic property. In this review, we have tried to figure out the basic underlying physics behind the origin of remarkable magnetic behavior in REIG.

Review of Orbital Magnetism in Graphene-Based Moiré Materials

Recent years have seen the emergence of moiré materials as an attractive platform for observing a host of novel correlated and topological phenomena. Moiré heterostructures are generated when layers of van der Waals materials are stacked such that consecutive layers are slightly mismatched in their lattice orientation or unit cell size. This slight lattice mismatch gives rise to a long-wavelength moiré pattern that modulates the electronic structure and leads to novel physics. The moiré superlattice results in flat superlattice bands, electron–electron interactions and non-trivial topology that have led to the observation of superconductivity, the quantum anomalous Hall effect and orbital magnetization, among other interesting properties. This review focuses on the experimental observation and theoretical analysis of orbital magnetism in moiré materials. These systems are novel in their ability to host magnetism that is dominated by the orbital magnetic moment of Bloch electrons. This orbital magnetic moment is easily tunable using external electric fields and carrier concentration since it originates in the quantum anomalous Hall effect. As a result, the orbital magnetism found in moiré superlattices can be highly attractive for a wide array of applications including spintronics, ultra-low-power magnetic memories, spin-based neuromorphic computing and quantum information technology.

Emergent topological quantum orbits in the charge density wave phase of kagome metal CsV3Sb5

The recently discovered kagome materials AV3Sb5 (A = K, Rb, Cs) attract intense research interest in intertwined topology, superconductivity, and charge density waves (CDW). Although the in-plane 2 × 2 CDW is well studied, its out-of-plane structural correlation with the Fermi surface properties is less understood. In this work, we advance the theoretical description of quantum oscillations and investigate the Fermi surface properties in the three-dimensional CDW phase of CsV3Sb5. We derived Fermi-energy-resolved and layer-resolved quantum orbits that agree quantitatively with recent experiments in the fundamental frequency, cyclotron mass, and topology. We reveal a complex Dirac nodal network that would lead to a π Berry phase of a quantum orbit in the spinless case. However, the phase shift of topological quantum orbits is contributed by the orbital moment and Zeeman effect besides the Berry phase in the presence of spin-orbital coupling (SOC). Therefore, we can observe topological quantum orbits with a π phase shift in otherwise trivial orbits without SOC, contrary to common perception. Our work reveals the rich topological nature of kagome materials and paves a path to resolve different topological origins of quantum orbits.

Symmetry and Electronic Properties of Metallic Nanoclusters

Spherical nanoclusters with countable member atoms and delocalized valence orbitals are superatoms with properties analogous to those of simple atoms. This is reflected, in particular, in their optical spectra and magnetic properties, in a similar sense to transition metal ions and complexes. Clusters can be of low-spin or high-spin with considerable contributions to magnetism by the large cluster orbital magnetic moment. Due to the large radius of the clusters, they can be diamagnetic with an unusually high diamagnetic susceptibility. Gold and platinum, which in the bulk are non-magnetic, show pronounced superparamagnetism associated with their high-spin nature, and the magnetic moment can be trapped in symmetry-breaking environments so that hysteresis pertains far beyond room temperature. A significant deviation from hydrogen-like orbitals results from the shape of the confining potential, which has the effect that the orbital quantum number ℓ is not limited to values less than the principal quantum number n.

Orbital and spin magnetic moments in strain-relaxed SrRuO3 (111)/SrTiO3 thin films

Orbital and spin magnetic moments in strain-relaxed SrRuO3 (111)/SrTiO3 thin films

Structure-based pharmacophore modeling and DFT studies of Indian Ocean-derived red algal compounds as PI3Kα inhibitors.

Phosphoinositide kinases (PIKs) are a type of lipid kinase that acts as an upstream activator of oncogenic signaling. Presently accessible therapeutic compounds have downsides, such as toxicity and dubious efficacy, as well as lengthy treatment durations, which have bred resistance. Here we attempt to screen the Indian Ocean-derived red algal compounds to be used as a promising lead for PI3Kα inhibitor development. Experimental structure of the PI3K alpha Isoform-Specific Inhibitor alpelisib complex-based pharmacophore model was constructed and used as key to mark off the suitable lead compounds from the pool of marine-derived red algal compounds of Indian Ocean. Besides, the study encompasses pharmacophore scaffold screening as well as physicochemical and pharmacokinetic parameter assessment. We employed molecular docking and molecular dynamics simulation to assess the binding type and stability of 21 red algal derivatives. Twelve compounds demonstrated a sustained binding mode within the PI3Kα binding pocket with an optimal protein backbone root-mean-square deviation, also prompted hydrogen bonding throughout the simulations, and also implies that these MNPs have firmly mediated the interaction with prime hinge region residues in the PI3Kα ATP binding pocket. DFT studies revealed that proposed compounds had the greatest occupied molecular orbital electrophilicity index, basicity, and dipole moment, all of which attributed their stability as well as binding affinity at the PI3Kα active site. Our study's findings revealed that CMNPD31054, CMNPD4798, CMNPD27861, CMNPD4799, CMNPD27860, CMNPD9533, CMNPD3732, CMNPD4221, CMNPD31058, CMNPD31052, CMNPD29281, and CMNPD31055 can be used as lead compounds for PI3KΑ isoform inhibitors design.

Field-free spin-orbit torque switching assisted by in-plane unconventional spin torque in ultrathin [Pt/Co

Electrical manipulation of magnetization without an external magnetic field is critical for the development of advanced non-volatile magnetic-memory technology that can achieve high memory density and low energy consumption. Several recent studies have revealed efficient out-of-plane spin-orbit torques (SOTs) in a variety of materials for field-free type-z SOT switching. Here, we report on the corresponding type-x configuration, showing significant in-plane unconventional spin polarizations from sputtered ultrathin [Pt/Co]N, which are either highly textured on single crystalline MgO substrates or randomly textured on SiO2 coated Si substrates. The unconventional spin currents generated in the low-dimensional Co films result from the strong orbital magnetic moment, which has been observed by X-ray magnetic circular dichroism (XMCD) measurement. The x-polarized spin torque efficiency reaches up to −0.083 and favors complete field-free switching of CoFeB magnetized along the in-plane charge current direction. Micromagnetic simulations additionally demonstrate its lower switching current than type-y switching, especially in narrow current pulses. Our work provides additional pathways for electrical manipulation of spintronic devices in the pursuit of high-speed, high-density, and low-energy non-volatile memory.

Spin moment cancelation of high Curie temperature Ir doped ZrO2 gradual atomic change

This paper presents the structural, magnetic properties, and spin moment cancelation phenomenon of the zirconium oxide with a gradual change of zirconium for Iridium. The density functional theory (DFT) is shown to be a key feature of magnetic properties of solid materials treatment. It is shown that a small adjustment of the spin moment (less than 6%) is allowed. The Zr1-xIrxO2 crystal structure deformation leads to a magnetic compensation that occurs at x=0.06. Spin and orbital moments behaviors are discussed. The stability of the alloy compounds is confirmed by energy calculations. The material presents ferromagnetic stability and an indirect exchange coupling with a hybridization effect that permitted the evolution from a non-magnetic to a host material with magnetic properties. The Ir orbitals are set at the Fermi level and are spin polarized which indicates a half metallic behavior then makes the material a good candidate for spintronics’ applications.

Direct observation of the magnetic anisotropy of an Fe(II) spin crossover molecular thin film

In this work, we provide clear evidence of magnetic anisotropy in the local orbital moment of a molecular thin film based on the SCO complex [Fe(H2B(pz)2)2(bipy)] (pz = pyrazol−1−yl, bipy = 2,2′−bipyridine). Field dependent x-ray magnetic circular dichroism measurements indicate that the magnetic easy axis for the orbital moment is along the surface normal direction. Along with the presence of a critical field, our observation points to the existence of an anisotropic energy barrier in the high-spin state. The estimated nonzero coupling constant of ∼2.47 × 10−5 eV molecule−1 indicates that the observed magnetocrystalline anisotropy is mostly due to spin–orbit coupling. The spin- and orbital-component anisotropies are determined to be 30.9 and 5.04 meV molecule−1, respectively. Furthermore, the estimated g factor in the range of 2.2–2.45 is consistent with the expected values. This work has paved the way for an understanding of the spin-state-switching mechanism in the presence of magnetic perturbations.

Understanding voltage-controlled magnetic anisotropy effect at Co/oxide interface

The voltage-controlled magnetic anisotropy (VCMA) effect is a key to realising high-speed, ultralow-power consumption spintronic devices. The fcc-Co-(111)-based stack is a promising candidate for the achievement of large VCMA coefficients. However, only a few studies on the fcc-Co-(111)-based stack have been reported and the VCMA effect has not been well understood. Previously, we observed a significant increase in the voltage-controlled coercivity (VCC) in the Pt/Ru/Co/CoO/TiOx structure upon post-annealing. However, the mechanism underlying this enhancement remains unclear. This study performs multiprobe analyses on this structure before and after post-annealing and discusses the origin of the VCMA effect at the Co/oxide interface. X-ray magnetic circular dichroism measurement revealed an increase in the orbital magnetic moment owing to post-annealing, accompanied by a significant increase in VCC. We speculate that the diffusion of Pt atoms into the vicinity of Co/oxide interface enhances the interfacial orbital magnetic moment and the VCMA at the interface. These results provide a guideline for designing structures to obtain a large VCMA effect in fcc-Co-(111)-based stacks.