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Yuriy Mokrousov

Publications and source records attributed to Yuriy Mokrousov.

At least 55 records · Page 3Linked to original sources
arXiv2024

Topology-engineered orbital Hall effect in two-dimensional ferromagnets

Recent advances in manipulation of orbital angular momentum (OAM) within the paradigm of orbitronics present a promising avenue for the design of future electronic devices. In this context, the recently observed orbital Hall effect (OHE) occupies a special place. Here, focusing on both the second-order topological and quantum anomalous Hall insulators in two-dimensional ferromagnets, we demonstrate that topological phase transitions present an efficient and straightforward way to engineer the OHE, where the OAM distribution can be controlled by the nature of the band inversion. Using first-principles calculations, we identify Janus RuBrCl and three septuple layers of MnBi$_2$Te$_4$ as experimentally feasible examples of the proposed mechanism of OHE engineering by topology. With our work we open up new possibilities for innovative applications in topological spintronics and orbitronics.

cond-mat.mtrl-sci↗
arXiv2024

Orbital Pumping by Magnetization Dynamics in Ferromagnets

We show that dynamics of the magnetization in ferromagnets can pump the orbital angular momentum, which we denote by orbital pumping. This is the reciprocal phenomenon to the orbital torque that induces magnetization dynamics by the orbital angular momentum in non-equilibrium. The orbital pumping is analogous to the spin pumping established in spintronics but requires the spin-orbit coupling for the orbital angular momentum to interact with the magnetization. We develop a formalism that describes the generation of the orbital angular momentum by magnetization dynamics within the adiabatic perturbation theory. Based on this, we perform first-principles calculation of the orbital pumping in prototypical $3d$ ferromagnets, Fe, Co, and Ni. The results show that the ratio between the orbital pumping and the spin pumping ranges from 5 to 15 percents, being smallest in Fe and largest in Ni. This implies that ferromagnetic Ni is a good candidate for measuring the orbital pumping. Implications of our results on experiments are also discussed.

cond-mat.mes-hall↗
arXiv2024

First-principles calculation of orbital Hall effect by Wannier interpolation: Role of orbital dependence of the anomalous position

The position operator in a Bloch representation acquires a gauge correction in the momentum space on top of the canonical position, which is called the anomalous position. We show that the anomalous position is generally orbital-dependent and thus plays a crucial role in the description of the intrinsic orbital Hall effect in terms of Wannier basis. We demonstrate this from the first-principles calculation of orbital Hall conductivities of transition metals by Wannier interpolation. Our results show that consistent treatment of the velocity operator by adding the additional term originating from the anomalous position predicts the orbital Hall conductivities different from those obtained by considering only the group velocity. We find the difference is crucial in several metals. For example, we predict the negative sign of the orbital Hall conductivities for elements in the groups X and XI such as Cu, Ag, Au, and Pd, for which the previous studies predicted the positive sign. Our work suggests the importance of consistently describing the spatial dependence of basis functions by first-principles methods as it is fundamentally missing in the tight-binding approximation.

cond-mat.mes-hall↗
arXiv2024

Crystal Thermal Transport in Altermagnetic RuO2

We demonstrate the emergence of a pronounced thermal transport in the recently discovered class of magnetic materials-altermagnets. From symmetry arguments and first-principles calculations performed for the showcase altermagnet, RuO2, we uncover that crystal Nernst and crystal thermal Hall effects in this material are very large and strongly anisotropic with respect to the Neel vector. We find the large crystal thermal transport to originate from three sources of Berry's curvature in momentum space: the Weyl fermions due to crossings between well-separated bands, the strong spin-flip pseudonodal surfaces, and the weak spin-flip ladder transitions, defined by transitions among very weakly spin-split states of similar dispersion crossing the Fermi surface. Moreover, we reveal that the anomalous thermal and electrical transport coefficients in RuO2 are linked by an extended Wiedemann-Franz law in a temperature range much wider than expected for conventional magnets. Our results suggest that altermagnets may assume a leading role in realizing concepts in spin caloritronics not achievable with ferromagnets or antiferromagnets.

cond-mat.mtrl-sci↗
arXiv2024

Fluctuation-mediated spin-orbit torque enhancement in the noncollinear antiferromagnet Mn3Ni0.35Cu0.65N

The role of spin fluctuations near magnetic phase transitions is crucial for generating various exotic phenomena, including anomalies in the extraordinary Hall effect, excess spin-current generation through the spin-Hall effect (SHE), and enhanced spin-pumping, amongst others. In this study, we experimentally investigate the temperature dependence of spin-orbit torques (SOTs) generated by Mn3Ni0.35Cu0.65N (MNCN), a member of the noncollinear antiferromagnetic family that exhibits unconventional magnetotransport properties. Our work uncovers a strong and nontrivial temperature dependence of SOTs, peaking near the Néel temperature of MNCN, which cannot be explained by conventional intrinsic and extrinsic scattering mechanisms of the SHE. Notably, we measure a maximum SOT efficiency of 30%, which is substantially larger than that of commonly studied nonmagnetic materials such as Pt. Theoretical calculations confirm a negligible SHE and a strong orbital Hall effect that can explain the observed SOTs. We propose a previously unidentified mechanism wherein fluctuating antiferromagnetic moments trigger the generation of substantial orbital currents near the Néel temperature due to the emergence of scalar spin chirality. Our findings present an approach for enhancing SOTs, which holds promise for magnetic memory applications by leveraging antiferromagnetic spin fluctuations to amplify both orbital and spin currents.

cond-mat.mes-hall↗
arXiv2024

Machine learning inspired models for Hall effects in non-collinear magnets

The anomalous Hall effect has been front and center in solid state research and material science for over a century now, and the complex transport phenomena in nontrivial magnetic textures have gained an increasing amount of attention, both in theoretical and experimental studies. However, a clear path forward to capturing the influence of magnetization dynamics on anomalous Hall effect even in smallest frustrated magnets or spatially extended magnetic textures is still intensively sought after. In this work, we present an expansion of the anomalous Hall tensor into symmetrically invariant objects, encoding the magnetic configuration up to arbitrary power of spin. We show that these symmetric invariants can be utilized in conjunction with advanced regularization techniques in order to build models for the electric transport in magnetic textures which are, on one hand, complete with respect to the point group symmetry of the underlying lattice, and on the other hand, depend on a minimal number of order parameters only. Here, using a four-band tight-binding model on a honeycomb lattice, we demonstrate that the developed method can be used to address the importance and properties of higher-order contributions to transverse transport. The efficiency and breadth enabled by this method provides an ideal systematic approach to tackle the inherent complexity of response properties of noncollinear magnets, paving the way to the exploration of electric transport in intrinsically frustrated magnets as well as large-scale magnetic textures.

cond-mat.mes-hall↗
arXiv2023

Intrinsic and extrinsic anomalous transport properties in noncollinear antiferromagnetic Mn$_3$Sn from first-principle calculations

Mn$_3$Sn has garnered significant attention due to its kagome lattice, 120$^\circ$ noncollinear antiferromagnetic order, and substantial anomalous Hall effect. In this study, we comprehensively explore intrinsic and extrinsic contributions to anomalous Hall, anomalous Nernst, and anomalous thermal Hall effects, employing first-principle calculations and group theory analysis. Comparative analysis between our theoretical results and available experimental data underscores the predominance of intrinsic mechanism in shaping anomalous transport properties at low temperatures. Specifically, Weyl fermions are identified as the primary contributors to intrinsic anomalous Hall conductivity. The significance of extrinsic mechanisms becomes evident at high temperatures, especially when the longitudinal charge conductivity falls into the dirty regime, where the side jump mechanism plays a vital role. Extrinsic contributions to anomalous transport properties are primarily influenced by the electronic states residing at the Fermi surfaces. Furthermore, anomalous transport properties exhibit periodic variations when subjected to spin rotations within the kagome plane, achievable by applying an external magnetic field. Our findings advance the understanding of anomalous transport phenomena in Mn$_3$Sn and offer insights into potential applications of noncollinear antiferromagnetic materials in spintronics and spin caloritronics.

cond-mat.mtrl-sci↗
arXiv2023

Dzyaloshinskii-Moriya interaction from unquenched orbital angular momentum

Orbitronics is an emerging and fascinating field that explores the utilization of the orbital degree of freedom of electrons for information processing. An increasing number of orbital phenomena are being currently discovered, with spin-orbit coupling mediating the interplay between orbital and spin effects, thus providing a wealth of control mechanisms and device applications. In this context, the orbital analog of spin Dzyaloshinskii-Moriya interaction (DMI), i.e. orbital DMI, deserves to be explored in depth, since it is believed to be capable of inducing chiral orbital structures. Here, we unveil the main features and microscopic mechanisms of the orbital DMI in a two-dimensional square lattice using a tight-binding model of t2g orbitals in combination with the Berry phase theory. This approach allows us to investigate and transparently disentangle the role of inversion symmetry breaking, strength of orbital exchange interaction and spin-orbit coupling in shaping the properties of the orbital DMI. By scrutinizing the band-resolved contributions we are able to understand the microscopic mechanisms and guiding principles behind the orbital DMI and its anisotropy in two dimensional magnetic materials, and uncover a fundamental relation between the orbital DMI and its spin counterpart, which is currently explored very intensively. The insights gained from our work contribute to advancing our knowledge of orbitalrelated effects and their potential applications in spintronics, providing a path for future research in the field of chiral orbitronics.

cond-mat.mtrl-sci↗
arXiv2023

Observation of orbital pumping

Harnessing spin and orbital angular momentum is a fundamental concept in condensed matter physics, materials science, and quantum-device applications. In particular, the search for new phenomena that generate a flow of spin angular momentum, a spin current, has led to the development of spintronics, advancing the understanding of angular momentum dynamics at the nanoscale. In contrast to this success, the generation and detection of orbital currents, the orbital counterpart of spin currents, remains a significant challenge. Here, we report the observation of orbital pumping, a phenomenon in which magnetization dynamics pumps an orbital current, a flow of orbital angular momentum. The orbital pumping is the orbital counterpart of the spin pumping, which is one of the most versatile and powerful mechanisms for spin-current generation. We show that the orbital pumping in Ni/Ti bilayers injects an orbital current into the Ti layer, which is detected through the inverse orbital Hall effect. Our findings provide a promising approach for generating orbital currents and pave the way for exploring the physics of orbital transport in solids.

cond-mat.mes-hall↗
arXiv2023

Bandgaps of insulators from moment-functional based spectral density-functional theory

Within the method of spectral moments it is possible to construct the spectral function of a many-electron system from the first $2P$ spectral moments ($P=1,2,3,\dots$). The case $P=1$ corresponds to standard Kohn-Sham density functional theory (KS-DFT). Taking $P>1$ allows us to consider additional important properties of the uniform electron gas (UEG) in the construction of suitable moment potentials for moment-functional based spectral density-functional theory (MFbSDFT). For example, the quasiparticle renormalization factor $Z$, which is not explicitly considered in KS-DFT, can be included easily. In the 4-pole approximation of the spectral function of the UEG (corresponding to $P=4$) we can reproduce the momentum distribution, the second spectral moment, and the charge response acceptably well, while a treatment of the UEG by KS-DFT reproduces from these properties only the charge response. For weakly and moderately correlated systems we may reproduce the most important aspects of the 4-pole approximation by an optimized two-pole model, which leaves away the low-energy satellite band. From the optimized two-pole model we extract \textit{parameter-free universal} moment potentials for MFbSDFT, which improve the description of the bandgaps in Si, SiC, BN, MgO, CaO, and ZnO significantly.

cond-mat.str-el↗
arXiv2023

Unified topological characterization of electronic states in spin textures from noncommutative K-theory

The nontrivial topology of spin systems such as skyrmions in real space can promote complex electronic states. Here, we provide a general viewpoint at the emergence of topological electronic states in spin systems based on the methods of noncommutative K-theory. By realizing that the structure of the observable algebra of spin textures is determined by the algebraic properties of the noncommutative hypertorus, we arrive at a unified understanding of topological electronic states which we predict to arise in various noncollinear setups. The power of our approach lies in an ability to categorize emergent topological states algebraically without referring to smooth real- or reciprocal-space quantities. This opens a way towards an educated design of topological phases in aperiodic, disordered, or non-smooth textures of spins and charges containing topological defects.

cond-mat.mtrl-sci↗
arXiv2023

Magnon-Phonon coupling in Fe$_3$GeTe$_2$

We study the dynamic coupling of magnons and phonons in single crystals of Fe3GeTe2 (FGT) using inelastic scanning tunneling spectroscopy (ISTS) with an ultra-low temperature scanning tunneling microscope. Inelastic scattering of hot carriers off phonons or magnons has been widely studied using ISTS, and we use it to demonstrate strong magnon-phonon coupling in FGT. We show a strong interaction between magnons and acoustic phonons which leads to formation of van Hove singularities originating in avoided level crossings and hybridization between the magnonic and phononic bands in this material. We identify these additional hybridization points in experiments and compare their energy with density functional theory calculations. Our findings provide a platform for designing the properties of dynamic magnon-phonon coupling in two-dimensional materials.

cond-mat.mtrl-sci↗
arXiv2023

Promoting $p$-based Hall effects by $p$-$d$-$f$ hybridization in Gd-based dichalcogenides

We conduct a first-principles study of Hall effects in rare-earth dichalcogenides, focusing on monolayers of the H-phase EuX$_2$ and GdX$_2$, where X = S, Se, and Te. Our predictions reveal that all EuX$_2$ and GdX$_2$ systems exhibit high magnetic moments and wide bandgaps. We observe that while in case of EuX$_2$ the $p$ and $f$ states hybridize directly below the Fermi energy, the absence of $f$ and $d$ states of Gd at the Fermi energy results in $p$-like spin-polarized electronic structure of GdX$_2$, which mediates $p$-based magnetotransport. Notably, these systems display significant anomalous, spin, and orbital Hall conductivities. We find that in GdX$_2$ the strength of correlations controls the relative position of $p$, $d$ and $f$-states and their hybridization which has a crucial impact on $p$-state polarization and the anomalous Hall effect, but not the spin and orbital Hall effect. Moreover, we find that the application of strain can significantly modify the electronic structure of the monolayers, resulting in quantized charge, spin and orbital transport in GdTe$_2$ via a strain-mediated orbital inversion mechanism taking place at the Fermi energy. Our findings suggest that rare-earth dichalcogenides hold promise as a platform for topological spintronics and orbitronics.

cond-mat.mes-hall↗
arXiv2023

Intrinsic and extrinsic anomalous transport properties of Heusler ferromagnets Fe$_2$CoAl and Fe$_2$NiAl from first principles

Recently, Heusler ferromagnets have been found to exhibit unconventional anomalous electric, thermal, and thermoelectric transport properties. In this study, we employed first-principles density functional theory calculations to systematically investigate both intrinsic and extrinsic contributions to the anomalous Hall effect (AHE), anomalous Nernst effect (ANE), and anomalous thermal Hall effect (ATHE) in two Heusler ferromagnets: Fe$_2$CoAl and Fe$_2$NiAl. Our analysis reveals that the extrinsic mechanism originating from disorder dominates the AHE and ATHE in Fe$_2$CoAl , primarily due to the steep band dispersions across the Fermi energy and corresponding high longitudinal electronic conductivity. Conversely, the intrinsic Berry phase mechanism, physically linked to nearly flat bands around the Fermi energy and gapped by spin-orbit interaction band crossings, governs the AHE and ATHE in Fe$_2$NiAl. With respect to ANE, both intrinsic and extrinsic mechanisms are competing in Fe$_2$CoAl as well as in Fe$_2$NiAl. Furthermore, Fe$_2$CoAl and Fe$_2$NiAl exhibit tunable and remarkably pronounced anomalous transport properties. For instance, the anomalous Nernst and anomalous thermal Hall conductivities in Fe$_2$NiAl attain giant values of 8.29 A/Km and 1.19 W/Km, respectively, at room temperature. To provide a useful comparison, we also thoroughly investigated the anomalous transport properties of Co$_2$MnGa. Our findings suggest that Heusler ferromagnets Fe$_2$CoAl and Fe$_2$NiAl are promising candidates for spintronics and spin-caloritronics applications.

cond-mat.mtrl-sci↗
arXiv2023

Flat band-engineered spin-density wave and the emergent multi-$k$ magnetic state in the topological kagome metal Mn$_{3}$Sn

Magnetic kagome metals, in which topologically non-trivial band structures and electronic correlation are intertwined, have recently emerged as an exciting platform to explore exotic correlated topological phases, that are usually not found in weakly interacting materials described within the semi-classical picture of electrons. Here, via a comprehensive single-crystal neutron diffraction and first-principles density functional theory study of the archetypical topological kagome metal Mn$_3$Sn, which is also a magnetic Weyl fermion material and a promising chiral magnet for antiferromagnetic spintronics, we report the realisation of an emergent spin-density wave (SDW) order, a hallmark correlated many-body phenomenon, that is engineered by the Fermi surface nesting of topological flat bands. We further reveal that the phase transition, from the well-known high-temperature coplanar and non-collinear k = 0 inverse triangular antiferromagnetic order to a double-$k$ non-coplanar modulated incommensurate magnetic structure below $T_1$ = 280 K, is primarily driven by the SDW instability. The double-$k$ nature of this complex low-temperature magnetic order, which can be regarded as an intriguing superposition of a longitudinal SDW with a modulation wavevector k$_L$ and a transverse incommensurate helical magnetic order with a modulation wavevector k$_T$, is unambiguously confirmed by our observation of the inter-modulation high-order harmonics of the type of 2k$_L$+k$_T$. This discovery not only solves a long-standing puzzle concerning the nature of the phase transition at $T_1$, but also provides an extraordinary example on the intrinsic engineering of correlated many-body phenomena in topological matter. The identified multi-$k$ magnetic state can be further exploited for the engineering of the new modes of magnetization and chirality switching in antiferromagnetic spintronics.

cond-mat.str-el↗
arXiv2023

Time-domain observation of ballistic orbital-angular-momentum currents with giant relaxation length in tungsten

The emerging field of orbitronics exploits the electron orbital momentum $\textit{L}$. Compared to spin-polarized electrons, $\textit{L}$ may allow magnetic-information transfera with significantly higher density over longer distances in more materials. However, direct experimental observation of $\textit{L}$ currents, their extended propagation lengths and their conversion into charge currents has remained challenging. Here, we optically trigger ultrafast angular-momentum transport in Ni|W|SiO$_2$ thin-film stacks. The resulting terahertz charge-current bursts exhibit a marked delay and width that grow linearly with W thickness. We consistently ascribe these observations to a ballistic $\textit{L}$ current from Ni through W with giant decay length (~80 nm) and low velocity (~0.1 nm/fs). At the W/SiO$_2$ interface, the $\textit{L}$ flow is efficiently converted into a charge current by the inverse orbital Rashba-Edelstein effect, consistent with ab-initio calculations. Our findings establish orbitronic materials with long-distance ballistic $\textit{L}$ transport as possible candidates for future ultrafast devices and an approach to discriminate Hall- and Rashba-Edelstein-like conversion processes.

physics.app-ph↗
arXiv2023

Ultrafast optical generation of antiferromagnetic meron-antimeron pairs with conservation of topological charge

We propose a new mechanism to produce a meron-antimeron pair in a two dimensional antiferromagnet with an ultrafast laser pulse via thermal Schwinger mechanism. Unlike ultrafast skyrmion nucleation, this process conserves total topological charge. We systematically show different stages of the dynamics and define proper topological invariants to characterise the configurations. The emergent structure can retain its topological structure for up to 100 ps. By introducing a topological structure factor we show that pair formation is robust against any random choice of initial magnetic configuration and can survive against disorder. Our findings demonstrate that the rich world of spin textures, which goes beyond conventional skyrmions, can be reached optically.

cond-mat.mes-hall↗
arXiv2023

Detection of long-range orbital-Hall torques

We report and quantify a large orbital-Hall torque generated by Nb and Ru, which we identify from a strong dependence of torques on the ferromagnets. This is manifested as a sign reversal and strong enhancement in the damping-like torques measured in Nb (or Ru)/Ni bilayers as compared to Nb (or Ru)/FeCoB bilayers. The long-range nature of orbital transport in the ferromagnet is revealed by the thickness dependences of Ni in Nb (or Ru)/Ni bilayers which are markedly different from the regular spin absorption in the ferromagnet that takes place within a few angstroms and thus it uniquely distinguishes the orbital Hall torque from the spin Hall torque.

cond-mat.mes-hall↗