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Yuriy Mokrousov

Publications and source records attributed to Yuriy Mokrousov.

At least 19 recordsLinked to original sources

Local and itinerant orbital contributions to the gyromagnetic response of paramagnetic metals

Orbitronics exploits orbital angular momentum to generate and manipulate angular-momentum currents for controlling magnetisation, offering new approaches to magnetic memory and logic. A quantitative description of this process requires establishing how orbital angular momentum contributes to magnetic moments and, consequently, to the gyromagnetic response that governs magnetisation dynamics. Here, we present a first-principles framework for calculating the effective gyromagnetic tensor (g') of paramagnetic metals, consistently incorporating local and itinerant orbital contributions, spin-orbit coupling, and both state- and occupation-change effects. Applying the framework to V and Pt, we find that orbital paramagnetic responses are comparable to or larger than spin contributions and substantially modify g' from the free-electron value. The atom-centered approximation can underestimate the orbital response by approximately a factor of two, while neglecting occupation changes produces significant errors in the calculated g'. Our calculated g' values for V and Pt agree with experiment, while their pronounced dependence on band filling reveals a route to engineering angular-momentum responses through electronic-structure control. The results establish the modern theory of orbital magnetism as an essential ingredient for describing gyromagnetic response and provide a framework for identifying materials with enhanced orbital functionalities.

cond-mat.mtrl-sci↗

Multipolar Anisotropy of Magnonic Orbital Pumping in $d$-Wave Altermagnets

We show that antiferromagnetic magnons in $d$-wave altermagnets lead to orbital pumping with distinctive $d$-wave angular dependence on the direction of the Néel vector. We find that the anisotropy is generally much larger than that of spin pumping. We elucidate that this difference originates from the direct coupling of the orbital response to the electrical quadrupole moments induced by staggered local crystal field in an altermagnet. By symmetry analysis, we show that the anisotropy does not cancel for the two opposite-handedness antiferromagnetic magnons, suggesting that our prediction can be observed even with thermally excited magnons. We further analyze the handedness dependence for the situation with coherent magnons. These results establish multipolar anisotropy of orbital pumping as a direct dynamical signature of $d$-wave altermagnetic order and highlight the potential of altermagnets as a platform for magnon-driven orbitronics as well as for the interplay between magnons and electrical multipoles.

cond-mat.mes-hall↗

Giant orbital Zeeman effects in a magnetic topological van der Waals interphase

Van der Waals (vdW) heterostructures allow the engineering of magnetic and electronic properties via interfacial orbital hybridisation and charge transfer. The resulting electric fields can give rise to Rashba spin-orbit coupling and Dzyaloshinskii-Moriya interactions, which may stabilise novel two-dimensional magnetic phases. While such emergent magnetic 'interphases' may offer a promising platform for spin-based electronics, direct spectroscopic evidence for them is still lacking. Here, we report electric-field tunable Zeeman effects with Landé $g$-factors up to $\approx230$ at the interface of graphene and the vdW ferromagnet Fe$_3$GeTe$_2$. They arise from an interplay of local-moment canting and the itinerant orbital moments of Fe$_3$GeTe$_2$, producing a giant asymmetric level splitting. Exploiting the inelastic phonon gap of graphene, scanning tunnelling spectroscopy allows us to access the buried interface properties, and quantify Faraday-like screening. Our findings provide new insights and opportunities for electrically controlled interface magnetism, e.g. for spintronics and orbitronics devices.

cond-mat.mes-hall↗

Large bias-tunable magnetoresistance from spin-dependent interlayer hybridization in van der Waals antiferromagnet CrSBr-based heterostructures

We explore the large magnetoresistance (MR) in \ce{hBN}/few-layer-graphene/\ce{CrSBr}/few-layer-graphene heterostructures and reveal the mechanism behind its non-monotonic bias dependence. Using bias voltage and temperature as independent tuning knobs, we achieve MR up to \SI{350}{\percent} at \SI{20}{K}, characterized by symmetric M-shaped maxima around $\pm 0.5\,\mathrm{V}$. Continuous tuning of the magnetization angle $θ$ via a hard-axis magnetic field shows that the barrier band-edge offset varies linearly with $\cos(θ/2)$, a first-order signature of spin-dependent interlayer hybridization. This linear relationship rules out the Jullière model and a spin-filter projection. We conclude that the magnetic-configuration-dependent band edge, rather than electrode spin polarization, dictates the large magnetoresistance in \ce{CrSBr} junctions.

cond-mat.mes-hall↗

Modern Approach to Orbital Hall Effect Based on Wannier Picture of Solids

The orbital Hall effect (OHE) and its key figure of merit, the orbital Hall conductivity (OHC), are central to the emerging field of orbitronics. The OHC is conventionally computed via Kubo linear response theory, where the orbital angular momentum (OAM) operator is approximated through atom-centered projections that retain only local contributions, discarding physically important itinerant components. Here, we present a rigorous framework for the OAM operator grounded in the modern theory of orbital magnetization, formulated in a Wannier function basis. Critically, this naturally introduces a hierarchy of non-local contributions to the OAM operator. In turn, this gives rise to an additional non-Kubo contribution to the OHC of purely geometric origin, absent in all atom-centered treatments. First-principles calculations across a diverse set of materials demonstrate that this term can constitute a significant fraction of the total OHC, with its omission leading to qualitatively incorrect predictions. Our framework provides a unified and numerically tractable approach to orbital transport and improves our understanding of the OAM in solids, allowing for a more precise estimation of various orbital effects in complex materials.

cond-mat.mes-hall↗

Polarization of photoluminescence by optically driven orbital reconstruction in magnetically ordered CrCl3

Control of magnetic order through optical manipulation of orbital states can be realized in a wide range of materials, including insulators. In the latter case, electrons are excited into different electronic states, whose character may be a complex result of spin-orbit-lattice coupling. Here, we use a combination of polarization-resolved photoluminescence spectroscopy and density functional theory calculations to study excited Cr3+ ions in bulk, insulating antiferromagnetic CrCl3. Our results demonstrate a temperature-dependent preferential polarization direction below ~17 K, which reorients in the presence of an applied in-plane magnetic field. Density functional theory calculations reveal a local distortion of the ligand field and the generation of out-of-plane spin and orbital moments, following Cr3+ ion excitation. These changes link the photoluminescence polarization to the magnetic state of CrCl3. Our findings provide insight into the excited-state electronic structure of Cr3+ ions and suggest that CrCl3 is a promising candidate for opto-orbitronic applications.

cond-mat.mtrl-sci↗

Dynamical Orbital Angular Momentum Induced by Circularly Polarized Phonons

We show that the orbital angular momentum (OAM) of electrons is dynamically induced by circularly polarized phonons. The induced OAM originates from the adiabatic evolution in which electrons acquire Berry phase formulated in terms of the Berry curvature encoded in phonon displacement space. By introducing a tight-binding model with $p$ orbitals on a honeycomb lattice, we show a microscopic picture that ionic rotations modulate orbital overlaps of electrons, and calculate the generated OAM, whose sign depends on phonon chirality. We then construct an effective model for valley phonons with different phonon pseudoangular momenta (PAM) and identity their distinct intervalley-scattering channels. Our model obeys the selection rule between phonons and electrons with the orbital degree of freedom. Extending this framework to $d$-orbital electrons, our model is applied to describe the induced OAM in monolayer transition metal dichalcogenides. Our results reveal a direct orbital generation mechanism that emerges even in materials with weak spin-orbital coupling, opening a new promising way for orbitronics applications.

cond-mat.mes-hall↗

Projected altermagnetism by symmetry reduction at surfaces and in thin films

Altermagnets are a newly identified class of magnetic materials that combine vanishing net magnetization within the unit cell with spin-split electronic states. Their theoretical description relies on symmetry properties of the bulk band structure. Surfaces and thin films, however, inherently break these symmetries. Here, we investigate the consequences of such symmetry reduction for the electronic structure of bulk altermagnets near the surface and of thin films. When the surface coincides with a symmetry plane of the bulk altermagnetic order, the resulting two-dimensional Brillouin zone exhibits spin-degenerate bands, corresponding to conventional antiferromagnetic behavior. In all other cases, the symmetry of the altermagnetic order is reduced, leading to modified spin splitting. Remarkably, we discover a thin-film geometry of a $g$-wave altermagnet with a particular surface orientation that enables a $d$-wave spin splitting, which is commonly accompanied by the spin-splitter effect, suggesting the functionalization of non-$d$-wave altermagnets by surfaces. Our findings demonstrate that symmetry breaking at surfaces and in thin films fundamentally reshapes altermagnetic spin textures, providing a tunable platform for controlling spin-dependent electronic phenomena.

cond-mat.mtrl-sci↗

Anatomy of the modern theory of orbital magnetism from first-principles: term-by-term analysis in the gauge-covariant formalism

We present an in-depth analysis of the orbital magnetism by means of the so-called modern theory based on the Berry phase across distinct classes of materials-d transition metals, sp metals, and transition metal dichalcogenides-highlighting the microscopic nature of band structure characteristics. We adopt a gauge-covariant formulation of the modern theory proposed in [Lopez et al. Phys. Rev. B 85, 014435 (2012)], which enables the calculation of orbital magnetism in a controlled manner in any chosen gauge of Wannier functions and gives the total contribution as a gauge-invariant measurable. This captures consistently the contributions due to the anomalous position, velocity, and orbital angular momentum of Wannier basis, as well as the contributions due to Hamiltonian such that their sum is gauge-invariant. For d transition metals, we find that the atom-centered approximation captures the majority of the total contribution given by modern theory, which we attribute to localized nature of d electrons. However, 5d metals tend to exhibit larger deviation between the two methods than 3d metals do, as 5d electrons are more delocalized than 3d electrons. On the other hand, sp metals exhibit a strong deviation between the two methods, where large kinetic energy of sp electrons is important. Finally, in 1H-MoS2, we find that the valley orbital moment far exceeds the atomic limit of d electrons due to coherent hybridization between valence and conduction bands in direct band gaps. Our work elucidates the interplay of the chemical nature of electronic orbitals and the effect of band structures in a consistent manner and highlights the role of Berry phase in orbital magnetism. The results suggest a promising direction of orbitronics beyond controlling atomic orbitals, in which the orbital magnetism can be greatly enhanced by exploiting Berry phase.

cond-mat.mes-hall↗

Coexistence and tunability of orbital and spin Hall effects in RuO$_2$

Altermagnetic materials, especially RuO$_2$, have recently attracted considerable attention for their unique magnetic properties and energy-efficient spintronic applications. However, recent experimental studies have reported highly conflicting signatures regarding altermagnetic spin splitting and charge--spin interconversion (CSI) in RuO$_2$. While some experiments link efficient CSI to non-relativistic altermagnetic spin-splitting effects, others observe large CSI signals in non-spin-splitting RuO$_2$, which are instead explained by relativistic inverse spin Hall effects. In this work, based on first-principles calculations, we reveal that these controversial experimental results originate from a phase-dependent coexistence and relative dominance of the orbital Hall effect (OHE) and spin Hall effect (SHE) in RuO$_2$. We systematically investigate the OHE and SHE in both altermagnetic and nonmagnetic phases of RuO$_2$. Our results show that the altermagnetic state hosts a giant OHE that exceeds the SHE by two orders of magnitude and carries an opposite sign. This dominant OHE can generate experimentally observed "SHE-like" voltages through orbital-to-spin conversion, explaining previously reported altermagnetic CSI signals. In contrast, OHE of nonmagnetic RuO$_2$ is suppressed and a large relativistic SHE emerges, in agreement with recent angle-resolved photoemission and spin-pumping experiments. Finally, we demonstrate that the coexistence of OHE and SHE is tunable via chemical doping, enabling on-demand modulation of CSI in in RuO$_2$. Our work provides a new physical mechanism for understanding CSI in RuO$_2$ and highlights the central role of orbital transport.

cond-mat.mtrl-sci↗

Giant orbital magnetoresistance in the antiferromagnet CoO driven by dynamic orbital angular momentum interaction

Recent predictions of orders of magnitude larger orbital current effects compared to spin currents have attracted significant interest. However, the full potential of giant orbital currents remains to be fully harnessed, since so far, the orbital currents need to be converted into spin currents before they can interact with the static magnetization that is dominated by spin angular momentum in conventional magnets. By using a magnet dominated by orbital angular momentum, we demonstrate a more than fifty-fold enhancement in orbital Hall magnetoresistance in CoO/Cu*, compared to conventional CoO/Pt. This is found to be driven by a unique interaction between dynamic orbital angular momentum from surface oxidized Cu* (i.e., the orbital current) and the static orbital angular momentum which constitutes the magnetic moments in the antiferromagnetic insulator CoO. A distinctive scattering mechanism for orbital currents at the CoO interface leads to a sign reversal in orbital magnetoresistance in CoO/Cu* compared to CoO/Pt. Our results show how by using orbital angular momentum-dominated materials such as CoO, we can harness the benefits of giant orbital currents that have not been possible using conventional spin-dominated magnets, for orbitronics-based devices, offering unprecedented energy efficiency for operations of antiferromagnets that combine ultimate stability with THz dynamics.

cond-mat.mtrl-sci↗

Interfacial orbital transmission, conversion, and mechanical torque in metals

Interfacial orbital transport remains far less understood than its bulk counterpart despite its central role in orbitronic experiments. Here, we theoretically investigate the transmission and conversion of orbital angular momentum across a metallic interface using a model Hamiltonian incorporating crystal-field effects. We show that an injected orbital dipole moment undergoes pronounced oscillations driven by the crystal field and generates characteristic quadrupole moments determined by the orbital orientation relative to the interface. Unlike spin precession, the dipole relaxes toward a finite value away from the interface. We further quantify interfacial orbital memory loss and demonstrate that orbital absorption produces a sizable mechanical torque obtained from the orbital continuity equation.

cond-mat.mes-hall↗

Violation of local reciprocity in charge-orbital interconversion

We demonstrate a violation of local reciprocity in the interconversion between charge and orbital currents. By investigating orbital torque and orbital pumping in W/Ni bilayers, we show that the charge-orbital interconversion in the bulk of the W layer exhibits opposite signs in the direct and inverse processes -- the direct and inverse orbital Hall effects being positive and negative, respectively. This finding provides direct evidence of local nonreciprocity in the charge-orbital interconversion, in agreement with a theoretical prediction. These results highlight the unique characteristics of charge-orbital coupled transport and offer fundamental insights into the mechanisms underlying orbital-current-driven phenomena.

cond-mat.mes-hall↗

Higher-order Hall response arises from octupole order and scalar spin chirality in a noncollinear antiferromagnet

Noncollinear antiferromagnets can generate a transverse electrical response known as the anomalous Hall effect, even though they possess almost no net magnetization. The microscopic origin of this behaviour, however, has remained unclear because conventional measurement geometries mix different contributions to the measured response. Here, we show that applying magnetic fields in selected in-plane directions allows us to disentangle the mechanisms underlying the Hall effect in a representative noncollinear antiferromagnet. By suppressing any dipole-related signal, we isolate a purely octupole-driven Hall response that exhibits a characteristic three-fold angular symmetry. At low magnetic fields, we further observe an additional Hall-like contribution that arises from the scalar spin chirality associated with noncoplanar spin textures. Combining symmetry analysis, first-principles calculations, and transport measurements, we reveal that octupole order, dipole moments, and chirality coexist and contribute in distinct field regimes. These findings establish a framework for identifying and controlling complex magnetic order parameters for spintronic applications.

cond-mat.mes-hall↗

The 2026 Skyrmionics Roadmap

Magnetic skyrmions and related topological spin textures have emerged as a central topic in condensed-matter physics, combining fundamental significance with potential for transformative applications in spintronics, magnonics, and beyond. Over the past decade, advances in material platforms, imaging techniques, theoretical modeling, and device concepts have established skyrmionics as a rapidly expanding field. At the same time, challenges remain in stabilizing, controlling, and integrating such textures into functional architectures, while novel phenomena such as antiskyrmions, higher-order skyrmions, hopfions, and antiferromagnetic textures arise. The 2026 Skyrmionics Roadmap represents a collective effort of many authors, providing a comprehensive perspective on the current state-of-the-art and the outlook for the coming years. In 33 focused sections, each co-authored by two researchers, we chart progress in theory and modeling, material systems, skyrmion dynamics, and skyrmion technologies. By offering a consolidated vision, this Roadmap aims to guide both fundamental research and application-driven efforts, accelerating the transition of skyrmionics from conceptual breakthroughs toward practical technologies.

cond-mat.mes-hall↗

Ultra-Stable Weyl Topology Driven by Magnetic Textures in the Shandite Compound Co3Sn2S(2-x)Sex

We employ state-of-the-art first-principles calculations to investigate the shandite compounds Co3Sn2S2, Co3Sn2SeS, and Co3Sn2Se2, which host Weyl fermions and complex magnetic textures. Their magnetic structures are governed primarily by exchange interactions and magnetocrystalline anisotropy, whereas the symmetry-allowed alternating-layer Dzyaloshinskii-Moriya interaction (DMI) is found to be negligible. We identify a previously unrecognized spin-chiral interaction (SCI) arising from the kagome lattice topology, which plays a decisive role in stabilizing the experimentally observed magnetic textures. The extracted magnetic parameters reproduce experimental trends, with the SCI emerging as a novel and dominant contribution. The calculated SCI strengths are 0.78 meV, 0.86 meV, and 0.87 meV for Co3Sn2S2, Co3Sn2SeS, and Co3Sn2Se2, respectively. Furthermore, we demonstrate that short-wavelength magnetic textures drive phase transitions of the Weyl nodes, resulting in band flattening and the opening of an emergent gap. This newly identified SCI, together with the associated electronically driven phase transitions, provides a promising route for manipulating transport properties in spintronic devices.

cond-mat.mtrl-sci↗

Itinerant Orbital Hall Effect Mechanism Leading to Large Negative Orbital Torques from Light Metal Vanadium

The orbital Hall effect (OHE) has attracted significant attention for developing energy-efficient electronic devices. However, utilizing it in fast, low-power devices requires an enhanced understanding of underlying extrinsic and intrinsic contributions to OHE at timescales ranging from quasi-static to picoseconds. Here, we investigate OHE in light metal vanadium (V) using a combination of selected measurement schemes, spanning the full frequency range. We observe a negative damping-like torque efficiency from V, opposite to conventional theoretical predictions, with a magnitude that depends on the adjacent ferromagnet, a dependence that indicates orbital effects. These results, with consistent torque efficiencies across all frequencies, corroborate a negative and intrinsic OHE in V with a large effective orbital Hall conductivity of $-(1.44 \pm 0.34)\,\frac{\hbar}{2e}\,\times 10^{5}\,Ω^{-1}\,\mathrm{m}^{-1}$ and a long orbital diffusion length of $(15.0 \pm 2.5)\,\mathrm{nm}$. To explain the observed OHE, we develop a theoretical model incorporating both local and itinerant circulation contributions to OHE. The model agrees excellently with the experimental results, demonstrating that itinerant contributions are essential for a complete physical understanding of intrinsic OHE. Our consistent experimental and theoretical data highlight the importance of itinerant contributions governing the fundamental understanding of intrinsic OHE and the large effects found open pathways for energy-efficient orbitronic devices.

cond-mat.mes-hall↗

Activation of anomalous Hall effect and orbital magnetization by domain walls in altermagnets

Altermagnets are an emerging class of unconventional antiferromagnets, characterized by a Néel ordering that does not break the translation symmetry of the underlying lattice. Depending on the orientation of the Néel vector, the anomalous Hall effect (AHE) may or may not exist. In the so-called pure altermagnets, AHE is forbidden by the magnetic symmetry. Here, we demonstrate that in pure altermagnets, the domain walls can lift the symmetry constraints, thereby activating the AHE and orbital magnetization. Taking a representative example of a rutile-lattice tight-binding minimal model in slab geometry, we use the linear response theory to demonstrate the emergence of the domain wall AHE, finding that it is closely related with the orbital magnetization, while the spin magnetization does not play a significant role. Using Landau theory, we argue that while for a random arrangement of $π$ domain walls, the contributions from the individual domain walls will cancel one another, an external magnetic field will favor domain-wall arrangements with specific chirality giving rise to a net AHE signal. Using group theory, we discuss how these findings can be generalized straightforwardly to certain other classes of altermagnets. Our work reveals a crucial role of the domain walls in the understanding of the Hall transport and orbital magnetism of altermagnets.

cond-mat.mes-hall↗