arXiv subjects

Yuriy Mokrousov

Publications and source records attributed to Yuriy Mokrousov.

At least 73 records · Page 4Linked to original sources

arXiv2023

Observation of long-range orbital transport and giant orbital torque

Modern spintronics relies on the generation of spin currents through spin-orbit coupling. The spin-current generation has been believed to be triggered by current-induced orbital dynamics, which governs the angular momentum transfer from the lattice to the electrons in solids. The fundamental role of the orbital response in the angular momentum dynamics suggests the importance of the orbital counterpart of spin currents: orbital currents. However, evidence for its existence has been elusive. Here, we demonstrate the generation of giant orbital currents and uncover fundamental features of the orbital response. We experimentally and theoretically show that orbital currents propagate over longer distances than spin currents by more than an order of magnitude in a ferromagnet and nonmagnets. Furthermore, we find that the orbital current enables electric manipulation of magnetization with efficiencies significantly higher than the spin counterpart. These findings open the door to orbitronics that exploits orbital transport and spin-orbital coupled dynamics in solid-state devices.

cond-mat.mes-hall↗

arXiv2023

Construction of Wannier functions from the spectral moments of correlated electron systems

When the first four spectral moments are considered, spectral features missing in standard Kohn-Sham (KS) density-functional theory (DFT), such as upper and lower Hubbard bands, as well as spectral satellite peaks, can be described, and the bandwidths can be corrected. Therefore, we have devised a \textit{moment-functional based spectral density functional theory} (MFbSDFT) recently. However, many computational tools in theoretical solid state physics, such as the construction of maximally localized Wannier functions (MLWFs), have been developed for KS-DFT and require modifications if they are supposed to be used in MFbSDFT. Here, we show how generalized Wannier functions may be constructed from the first four spectral moment matrices. We call these functions \textit{maximally localized spectral moment Wannier functions} (MLSMWFs). We demonstrate how MLSMWFs may be used to compute the anomalous Hall effect (AHE) in fcc Ni by Wannier interpolation. More generally, MLSMWFs may be computed from the first $2P$ moments ($P=1,2,3,\dots$). Using more than 4 moments opens the perspective of reproducing all spectral features accurately in MFbSDFT.

cond-mat.str-el↗

arXiv2022

Moment potentials for spectral density functional theory: Exploiting the momentum distribution of the uniform electron gas

In standard Kohn-Sham (KS) density-functional theory (DFT) the valence band satellites in Ni and Pd are missing, the band widths in Ni and Na are too large, and the formation of lower and upper Hubbard bands in SrVO$_3$ is not described. These spectral features may be corrected by constructing the spectral function from the first four spectral moments, which may be obtained numerically efficiently within a \textit{moment-functional based spectral density functional theory} (MFbSDFT). In order to obtain a suitable potential for the second moment, one may use existing models of the uniform electron gas (UEG). However, models for the third moment of the UEG are not yet available. Therefore, we show that reproducing the momentum distribution of the UEG within the two-pole approximation of the spectral function determines the third moment, when the second moment is given. This allows us to find a model for the second and third moment potentials, which reproduces the experimental spectra of Ni, Pd, Na, and SrVO$_3$, and which is consistent with the second moment of the UEG at low density. Additionally, we describe an efficient algorithm to compute the spectral function from the first $2P$ spectral moment matrices, which paves the way to increasing the accuracy of MFbSDFT by using more than 4 spectral moments.

cond-mat.mtrl-sci↗

arXiv2022

Moment-functional based spectral density-functional theory

We describe a density-functional method which aims at computing the ground state electron density and the spectral function at the same time. One basic ingredient of our method is the construction of the spectral function from the first four spectral moment matrices. The second basic ingredient is the construction of the spectral moment matrices from density functionals. We call our method moment-functional based spectral density-functional theory (MFbSDFT), because it is based on density-functionals for the spectral moments and because it allows us to compute the spectral function. If it is implemented in second variation our method consumes only a fraction more computer time than a standard DFT calculation with the PBE functional. We show that MFbSDFT captures correlation effects such as the valence-band satellite in Ni and the formation of lower and upper Hubbard bands in SrVO$_3$. For the purpose of constructing the spectral function from the first four $N\times N$ spectral moment matrices we describe an efficient algorithm based on the diagonalization of one hermitean $2N\times 2N$ matrix.

cond-mat.mtrl-sci↗

arXiv2022

Inverse Orbital Torque via Spin-Orbital Entangled States

While current-induced torque by orbital current has been experimentally found in various structures, evidence for its reciprocity has been missing so far. Here, we report experimental evidence of strong inverse orbital torque in YIG/Pt/CuOx (YIG = Y3Fe5O12) mediated by spin-orbital entangled electronic states in Pt. By injecting spin current from YIG to Pt by the spin pumping via ferromagnetic resonance and by the spin Seebeck effect, we find a pronounced inverse spin Hall effect-like signal. While a part of the signal is explained as due to the inverse spin-orbital Hall effect in Pt, we also find substantial increase of the signal in YIG/Pt/CuOx structures compared to the signal in YIG/Pt. We attribute this to the inverse orbital Rashba-Edelstein effect at Pt/CuOx interface mediated by the spin-orbital entangled states in Pt. Our work paves the way toward understanding of spin-orbital entangled physics in nonequilibrium and provides a way for electrical detection of the orbital current in orbitronic device applications.

cond-mat.mes-hall↗

arXiv2022

Controlling 3D spin textures by manipulating sign and amplitude of interlayer DMI with electrical current

The recently discovered interlayer Dzyaloshinskii-Moriya interaction (IL-DMI) in multilayers with perpendicular magnetic anisotropy favors the canting of spins in the in-plane direction and could thus enable new exciting spin textures such as Hopfions in continuous multilayer films. A key requirement is to control the IL-DMI and so in this study, the influence of an electric current on the IL-DMI is investigated by out-of-plane hysteresis loops of the anomalous Hall effect under applied in-plane magnetic fields. The direction of the in-plane field is varied to obtain a full azimuthal dependence, which allows us to quantify the effect on the IL-DMI. We observe a shift in the azimuthal dependence of the IL-DMI with increasing current, which can be understood from the additional in-plane symmetry breaking introduced by the current flow. Using an empirical model of two superimposed cosine functions we demonstrate the presence of a current-induced term that linearly increases the IL-DMI in the direction of current flow. With this, a new easily accessible possibility to manipulate 3D spin textures by current is realized. As most spintronic devices employ spin-transfer or spin-orbit torques to manipulate spin textures, the foundation to implement current-induced IL-DMI into thin-film devices is broadly available.

cond-mat.mes-hall↗

arXiv2022

Hidden interplay of current-induced spin and orbital torques in bulk Fe$_3$GeTe$_2$

Low crystal symmetry of magnetic van der Waals materials naturally promotes spin-orbital complexity unachievable in common magnetic materials used for spin-orbit torque switching. Here, using first-principles methods, we demonstrate that an interplay of spin and orbital degrees of freedom has a profound impact on spin-orbit torques in a prototype van der Waals ferromagnet: Fe$_3$GeTe$_2$ (FGT). While we show that bulk FGT hosts strong "hidden" current-induced torques harvested by each of its layers, we uncover that their origin alternates between the conventional spin flux torque and the so-called orbital torque as the magnetization direction is varied. A drastic difference in the behavior of the two types of torques results in a non-trivial evolution of switching properties with doping. Our findings promote the design of non-equilibrium orbital properties as the guiding mechanism for crafting the properties of spin-orbit torques in layered van der Waals materials.

cond-mat.mtrl-sci↗

arXiv2022

Disorder- and Topology-Enhanced Fully Spin-Polarized Currents in Nodal Chain Spin-Gapless Semimetals

Recently discovered high-quality nodal chain spin-gapless semimetals $M$F$_3$ ($M$ = Pd, Mn) feature an ultra-clean nodal chain in the spin up channel residing right at the Fermi level and displaying a large spin gap leading to a 100\% spin-polarization of transport properties. Here, we investigate both intrinsic and extrinsic contributions to anomalous and spin transport in this class of materials. The dominant intrinsic origin is found to originate entirely from the gapped nodal chains without the entanglement of any other trivial bands. The side-jump mechanism is predicted to be negligibly small, but intrinsic skew-scattering enhances the intrinsic Hall and Nernst signals significantly, leading to large values of respective conductivities. Our findings open a new material platform for exploring strong anomalous and spin transport properties in magnetic topological semimetals.

cond-mat.mes-hall↗

arXiv2022

Terahertz spin-to-charge current conversion in stacks of ferromagnets and the transition-metal dichalcogenide NbSe$_2$

Transition-metal dichalcogenides (TMDCs) are an aspiring class of materials with unique electronic and optical properties and potential applications in spin-based electronics. Here, we use terahertz emission spectroscopy to study spin-to-charge current conversion (S2C) in the TMDC NbSe$_2$ in ultra-high-vacuum-grown F|NbSe$_2$ thin-film stacks, where F is a layer of ferromagnetic Fe or Ni. Ultrafast laser excitation triggers an ultrafast spin current that is converted into an in-plane charge current and, thus, a measurable THz electromagnetic pulse. The THz signal amplitude as a function of the NbSe$_2$ thickness shows that the measured signals are fully consistent with an ultrafast optically driven injection of an in-plane-polarized spin current into NbSe$_2$. Modeling of the spin-current dynamics reveals that a sizable fraction of the total S2C originates from the bulk of NbSe$_2$ with the same, negative, sign as the spin Hall angle of pure Nb. By quantitative comparison of the emitted THz radiation from F|NbSe$_2$ to F|Pt reference samples and the results of ab-initio calculations, we estimate that the spin Hall angle of NbSe$_2$ for an in-plane polarized spin current lies between -0.2% and -1.1%, while the THz spin-current relaxation length is of the order of a few nanometers.

cond-mat.mes-hall↗

arXiv2022

Construction of the spectral function from non-commuting spectral moment matrices

The LDA+U method is widely used to study the properties of realistic solids with strong electron correlations. One of its main shortcomings is that it does not provide direct access to the temperature dependence of material properties such as the Dzyaloshinskii-Moriya interaction, the anomalous Hall conductivity, and the spin-orbit torque. While the method of spectral moments allows us in principle to compute these quantities directly at finite temperatures, the standard two-pole approximation can be applied only to Hamiltonians that are effectively of single-band type. We do a first step to explore if the method of spectral moments may replace the LDA+U method in first-principles calculations of correlated solids with many bands in cases where the direct assessment of the temperature dependence of equilibrium and response functions is desired: The spectral moments of many-band Hamiltonians of correlated electrons do not commute and therefore they do not possess a system of common eigenvectors. We show that nevertheless the spectral function may be constructed from the spectral moments by solving a system of coupled non-linear equations. Additionally, we show how to compute the anomalous Hall conductivity of correlated electrons from this spectral function. We demonstrate the method for the Hubbard-Rashba model, where the standard two-pole approximation cannot be applied, because spin-orbit interaction (SOI)couples the spin-up and the spin-down bands. In the quest for new quantum states that arise from the combination of SOI and correlation effects, the Hartree-Fock approximation is frequently used to obtain a first approximation for the phase diagram. We propose that using the many-band generalization of the selfconsistent moment method instead of Hartree-Fock in such exploratory model calculations may improve the accuracy significantly, while keeping the computational burden low.

cond-mat.other↗

arXiv2022

Evidence of Magnon-Mediated Orbital Magnetism in a Quasi-2D Topological Magnon Insulator

We explore spin dynamics in Cu(1,3-bdc), a quasi-2D topological magnon insulator. The results show that the thermal evolution of Landé $g$-factor ($g$) is anisotropic: $g_\textrm{in-plane}$ reduces while $g_\textrm{out-plane}$ increases with increasing temperature $T$. Moreover, the anisotropy of the $g$-factor ($Δg$) and the anisotropy of saturation magnetization ($ΔM_\textrm{s}$) are correlated below 4 K, but they diverge above 4 K. We show that the electronic orbital moment contributes to the $g$ anisotropy at lower $T$, while the topological orbital moment induced by thermally excited spin chirality dictates the $g$ anisotropy at higher $T$. Our work suggests an interplay among topology, spin chirality, and orbital magnetism in Cu(1,3-bdc).

physics.app-ph↗

arXiv2022

Long-Range Orbital Magnetoelectric Torque in Ferromagnets

While it is often assumed that the orbital response is suppressed and short-ranged due to strong crystal field potential and orbital quenching, we show that the orbital magnetoelectric response can be remarkably long-ranged in ferromagnets. In a bilayer consisting of a nonmagnet and a ferromagnet, spin injection from the interface results in spin accumulation and torque in the ferromagnet, which rapidly oscillate and decay by spin dephasing. In contrast, we find that even when an external electric field is applied only on the nonmagnet, we find substantially long-ranged orbital magnetoelectric response in the FM, which can go far beyond the spin dephasing length. This unusual feature is attributed to nearly degenerate orbital characters imposed by the crystal symmetry, which form hotspots for the intrinsic orbital response. Because only the states near the hotspots contribute dominantly, the induced orbital angular momentum does not exhibit destructive interference among states with different momentum as in the case of the spin dephasing. This gives rise to a distinct type of orbital torque on the magnetization, increasing with the thickness of the ferromagnet. Such behavior may serve as critical long-sought evidence of orbital transport to be directly tested in experiments. Our findings open the possibility of using long-range orbital magnetoelectric effect in orbitronic device applications.

cond-mat.mes-hall↗

arXiv2022

Indirect optical manipulation of the antiferromagnetic order of insulating NiO by ultrafast interfacial energy transfer

We report the ultrafast, (sub)picosecond reduction of the antiferromagnetic order of the insulating NiO thin film in a Pt/NiO bilayer. This reduction of the antiferromagnetic order is not present in pure NiO thin films after a strong optical excitation. This ultrafast phenomenon is attributed to an ultrafast and highly efficient energy transfer from the optically excited electron system of the Pt layer into the NiO spin system. We propose that this energy transfer is mediated by a stochastic exchange scattering of hot Pt electrons at the Pt/NiO interface.

cond-mat.mtrl-sci↗

arXiv2022

Skyrmionic Spin Structures in Layered Fe5GeTe2 Up To Room Temperature

The role of the crystal lattice, temperature and magnetic field for the spin structure formation in the 2D van der Waals magnet Fe5GeTe2 is a key open question. Using Lorentz transmission electron microscopy, we experimentally observe topological spin structures up to room temperature in the metastable pre-cooling and stable post-cooling phase of Fe5GeTe2. Over wide temperature and field ranges, skyrmionic magnetic bubbles form without preferred chirality, which is indicative of a centrosymmetric crystal structure. In the pre-cooling phase, these bubbles are observable even without the application of an external field, while in the post-cooling phase, a transformation from bubble domains to stripe domains is seen. To understand the magnetic order in Fe5GeTe2 we compare macroscopic magnetometry characterization results with microscopic density functional theory calculation. Our results show that even up to room temperature, topological spin structures can be stabilized in centrosymmetric van der Waals magnets.

cond-mat.mes-hall↗

arXiv2022

Engineering spin-orbit effects and Berry curvature by deposition of Eu on WSe$_{2}$

Motivated by recent progress in 2D spintronics, we present Eu deposited on a 1H-WSe$_2$ as a promising platform for engineering spin-orbit effects and Berry curvature. By first-principles calculations based on density functional theory, we show that Eu/WSe$_2$ exhibits intriguing properties such as high magnetic anisotropy, valley-dependent polarization of spin and orbital angular momenta, and their Rashba textures. These originate from magnetic and spin-orbit proximity effects at the interface and the interplay between localized $4f$ magnetic moments of Eu and mobile charge carriers of WSe$_2$. We find a pronounced anomalous Hall effect in the proposed system. Thus, we promote $4f$ rare-earth metals deposited on top of a transition-metal dichalcogenides as a promising platform for 2D spintronics.

cond-mat.mes-hall↗

arXiv2022

Magnetic domain walls of the van der Waals material Fe$_3$GeTe$_2$

Among two-dimensional materials, Fe$_3$GeTe$_2$ has come to occupy a very important place owing to its ferromagnetic nature with one of the highest Curie temperatures among known van der Waals materials and the potential for hosting skyrmions. In this combined experimental and theoretical work, we investigate the magnetic bubble domains as well as the microscopic domain wall profile using spin-polarized scanning tunneling microscopy in combination with atomistic spin-dynamics simulations performed with parameters from density functional theory calculations. We find a weak magneto-electric effect influencing the domain wall width by the electric field in the tunneling junction and determine the critical magnetic field for the collapse of the bubble domains. Our findings shed light on the origins of complex magnetism that Fe$_3$GeTe$_2$ exhibits.

cond-mat.mtrl-sci↗

arXiv2022

Non-Collinear Spin Current for Switching of Chiral Magnetic Textures

We propose a concept of non-collinear spin current, whose spin polarization varies in space even in non-magnetic crystals. While it is commonly assumed that the spin polarization of the spin Hall current is uniform, asymmetric local crystal potential generally allows the spin polarization to be non-collinear in space. Based on microscopic considerations we demonstrate that such non-collinear spin Hall currents can be observed for example in layered Kagome Mn$_3$X (X = Ge, Sn) compounds. Moreover, by referring to atomistic spin dynamics simulations we show that non-collinear spin currents can be used to switch the chiral spin texture of Mn$_3$X in a deterministic way even in the absence of an external magnetic field. Our theoretical prediction can be readily tested in experiments, which will open a novel route toward electric control of complex spin structures in non-collinear antiferromagnets.

cond-mat.mes-hall↗

arXiv2022

Tuning spin-orbit torques across the phase transition in VO$_2$/NiFe heterostructure

The emergence of spin-orbit torques as a promising approach to energy-efficient magnetic switching has generated large interest in material systems with easily and fully tunable spin-orbit torques. Here, current-induced spin-orbit torques in VO$_2$/NiFe heterostructures were investigated using spin-torque ferromagnetic resonance, where the VO$_2$ layer undergoes a prominent insulator-metal transition. A roughly two-fold increase in the Gilbert damping parameter, $α$, with temperature was attributed to the change in the VO$_2$/NiFe interface spin absorption across the VO$_2$ phase transition. More remarkably, a large modulation ($\pm$100%) and a sign change of the current-induced spin-orbit torque across the VO$_2$ phase transition suggest two competing spin-orbit torque generating mechanisms. The bulk spin Hall effect in metallic VO$_2$, corroborated by our first-principles calculation of spin Hall conductivity, $σ_{SH} \approx 10^4 \frac{\hbar}{e} Ω^{-1} m^{-1}$, is verified as the main source of the spin-orbit torque in the metallic phase. The self-induced/anomalous torque in NiFe, of the opposite sign and a similar magnitude to the bulk spin Hall effect in metallic VO$_2$, could be the other competing mechanism that dominates as temperature decreases. For applications, the strong tunability of the torque strength and direction opens a new route to tailor spin-orbit torques of materials which undergo phase transitions for new device functionalities.

cond-mat.mtrl-sci↗