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Olle Eriksson

Publications and source records attributed to Olle Eriksson.

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

Quantum spin systems: toroidal classification and geometric duality

Toroidal classification and geometric duality in quantum spin systems is presented. Through our classification and duality, we reveal that various bipartite quantum features in magnon-systems can manifest equivalently in both bipartite ferromagnetic and antiferromagnetic materials, based upon the availability of relevant Hamiltonian parameters. Additionally, the results highlight the antiferromagnetic regime as an ultra-fast dual counterpart to the ferromagnetic regime, both exhibiting identical capabilities for quantum spintronics and technological applications. Concrete illustrations are provided, demonstrating how splitting and squeezing types of two-mode magnon quantum correlations can be realized across ferro- and antiferromagnetic regimes.

quant-ph↗
arXiv2024

Chemical disorder effects on the Gilbert damping of FeCo alloys

The impact of the local chemical environment on the Gilbert damping in the binary alloy Fe$_{100-x}$Co$_{x}$ is investigated, using computations based on density functional theory. By varying the alloy composition x as well as Fe/Co atom positions we reveal that the effective damping of the alloy is highly sensitive to the nearest neighbor environment, especially to the amount of Co and the average distance between Co-Co atoms at nearest neighbor sites. Both lead to a significant local increase (up to an order of magnitude) of the effective Gilbert damping, originating mainly from variations of the density of states at the Fermi energy. In a global perspective (i.e., making a configuration average for a real material), those differences in damping are masked by statistical averages. When low-temperature explicit atomistic dynamics simulations are performed, the impact of short-range disorder on local dynamics is observed to also alter the overall relaxation rate. Our results illustrate the possibility of local chemical engineering of the Gilbert damping, which may stimulate the study of new ways to tune and control materials aiming for spintronics applications.

cond-mat.mtrl-sci↗
arXiv2024

Topological magnon in exchange frustration driven incommensurate spin spiral of a kagome lattice YMn$_6$Sn$_6$

YMn$_6$Sn$_6$ consists of two types of Mn-based kagome planes stacked along $c$-axis having a complex magnetic interactions. We report a spin reconstruction in YMn$_6$Sn$_6$ from ferromagnet (FM) into a combination of two incommensurate spin spirals (SSs) originating from two different type of Mn kagome planes driven by frustrated magnetic exchanges along the $c$-axis with inclusion of Hubbard U. The pitch angle and wave vector of the incommensurate SSs are $\sim$89.3$^{\circ}$ and $\sim$ (0 0 0.248) respectively which are in excellent agreement with experiment. We employed an effective model Hamiltonian constructed out of exchange interactions to capture experimentally observed non-equivalent nature of the two incommensurate SSs which also explain FM-SS crossover due to antiferromagntic spin exchange with correlation. We further report the existence of topological magnon with spin-orbit coupling in incommensurate SS phase of YMn$_6$Sn$_6$ by calculating the topological invariants and Berry curvature profile. The location of Dirac magnon in energy landscape at 73 meV matches with another experimental report. We demonstrate the accuracy of our results by highlighting experimental features in YMn$_6$Sn$_6$.

cond-mat.mtrl-sci↗
arXiv2024

Unraveling the connection between high-order magnetic interactions and local-to-global spin Hamiltonian in non-collinear magnetic dimers

A spin Hamiltonian, which characterizes interatomic interactions between spin moments, is highly valuable in predicting and comprehending the magnetic properties of materials. A deeper understanding of the microscopic origin of magnetic interactions can open new pathways toward realizing nanometer-scale systems for future spintronic devices. Here, we explore a method for explicitly calculating interatomic exchange interactions in non-collinear configurations of magnetic materials considering only a bilinear spin Hamiltonian in a local scenario. Based on density-functional theory (DFT) calculations of dimers adsorbed on metallic surfaces, and with a focus on the Dzyaloshinskii-Moriya interaction (DMI) which is essential for stabilizing chiral non-collinear magnetic states, we discuss the interpretation of the DMI when decomposed into microscopic electron and spin densities and currents. We clarify the distinct origins of spin currents induced in the system and their connection to the DMI. In addition, we reveal how non-collinearity affects the usual DMI, which is solely induced by spin-orbit coupling, and DMI-like interactions brought about by non-collinearity. We explain how the dependence of the DMI on the magnetic configuration establishes a connection between high-order magnetic interactions, enabling the transition from a local to a global spin Hamiltonian.

cond-mat.mtrl-sci↗
arXiv2024

Theory of x-ray absorption spectroscopy for ferrites

The theoretical calculation of the interaction of electromagnetic radiation with matter remains a challenging problem for contemporary $ab$ $initio$ electronic structure methods, in particular for x-ray spectroscopies. This is not only due to the strong interaction between the core-hole and the photo-excited electron, but also due to the elusive multiplet effects that arise from the Coulomb interaction among the valence electrons. In this work we report a method based on density-functional theory in conjunction with multiplet ligand-field theory to investigate various core-level spectroscopies, in particular x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD). The developed computational scheme is applied to the $L_{2,3}$ XAS edges of magnetite (Fe$_3$O$_4$) as well as cobalt ferrite (CoFe$_2$O$_4$) and nickel ferrite (NiFe$_2$O$_4$) and the corresponding XMCD spectra. The results are in overall good agreement with experimental observations, both regarding the XAS $L_2$/$L_3$ branching ratio, the peak positions as well as the relative intensities. The agreement between theory and experiment is equally good for XAS and the XMCD spectra, for all studied systems. The results are analyzed in terms of $e_g$ and $t_{2g}$ orbitals contributions and the importance of optimizing the Slater parameters. The analysis also highlights the strong effect of the $2p$-$3d$ interaction in x-ray spectroscopy.

cond-mat.str-el↗
arXiv2023

The role of pressure-induced stacking faults on the magnetic properties of gadolinium

Experimental data show that under pressure, Gd goes through a series of structural transitions hcp to Sm-type (close-packed rhombohedral) to dhcp that is accompanied by a gradual decrease of the Curie temperature and magnetization till the collapse of a finite magnetization close to the dhcp structure. We explore theoretically the pressure-induced changes of the magnetic properties, by describing these structural transitions as the formation of fcc stackings faults. Using this approach, we are able to describe correctly the variation of the Curie temperature with pressure, in contrast to a static structural model using the hcp structure.

cond-mat.mtrl-sci↗
arXiv2023

Tunable phonon-driven magnon-magnon entanglement at room temperature

We report the existence of entangled steady-states in bipartite quantum magnonic systems at elevated temperatures. We consider dissipative dynamics of two magnon modes in a bipartite antiferromagnet, subjected to interaction with a phonon mode and an external rotating magnetic field. To quantify the bipartite magnon-magnon entanglement, we use entanglement negativity and compute its dependence on temperature and magnetic field. We provide evidence that the coupling between magnon and phonon modes is necessary for the entanglement, and that, for any given phonon frequency and magnon-phonon coupling rate, there are always ranges of the magnetic field amplitudes and frequencies for which magnon-magnon entanglement persists at room temperature.

cond-mat.mes-hall↗
arXiv2023

Optically controlling the competition between spin flips and intersite spin transfer in a Heusler half-metal on sub-100 fs timescales

The direct manipulation of spins via light may provide a path toward ultrafast energy-efficient devices. However, distinguishing the microscopic processes that can occur during ultrafast laser excitation in magnetic alloys is challenging. Here, we study the Heusler compound Co2MnGa, a material that exhibits very strong light-induced spin transfers across the entire M-edge. By combining the element-specificity of extreme ultraviolet high harmonic probes with time-dependent density functional theory, we disentangle the competition between three ultrafast light-induced processes that occur in Co2MnGa: same-site Co-Co spin transfer, intersite Co-Mn spin transfer, and ultrafast spin-flips mediated by spin-orbit coupling. By measuring the dynamic magnetic asymmetry across the entire M-edges of the two magnetic sublattices involved, we uncover the relative dominance of these processes at different probe energy regions and times during the laser pulse. Our combined approach enables a comprehensive microscopic interpretation of laser-induced magnetization dynamics on timescales shorter than 100 fs.

cond-mat.mtrl-sci↗
arXiv2023

Magnetism in AV3Sb5 (A = Cs, Rb, K): Complex Landscape of the Dynamical Magnetic Textures

We have investigated the dynamical magnetic properties of the V-based kagome stibnite compounds by combining the ab-initio calculated magnetic parameters of a spin Hamiltonian like inter-site exchange parameters, magnetocrystalline anisotropy and site projected magnetic moments, with full-fledged simulations of atomistic spin-dynamics. Our calculations reveal that in addition to a ferromagnetic order along the [001] direction, the system hosts a complex landscape of magnetic configurations comprised of commensurate and incommensurate spin-spirals along the [010] direction. The presence of such chiral magnetic textures may be the key to solve the mystery about the origin of the experimentally observed inherent breaking of the C6 rotational symmetry- and the time-reversal symmetry.

cond-mat.mtrl-sci↗
arXiv2023

Magnetism in AV3Sb5 (Cs, Rb, K): Origin and Consequences for the Strongly Correlated Phases

The V-based kagome systems AV3Sb5 (A = Cs, Rb and K) are unique by virtue of the intricate interplay of non-trivial electronic structure, topology and intriguing fermiology, rendering them to be a playground of many mutually dependent exotic phases like charge-order and superconductivity. Despite numerous recent studies, the interconnection of magnetism and other complex collective phenomena in these systems has yet not arrived at any conclusion. Using first-principles tools, we demonstrate that their electronic structures, complex fermiologies and phonon dispersions are strongly influenced by the interplay of dynamic electron correlations, non-trivial spin-polarization and spin-orbit coupling. An investigation of the first-principles-derived inter-site magnetic exchanges with the complementary analysis of q-dependence of the electronic response functions and the electron-phonon coupling indicate that the system conforms as a frustrated spin-cluster, where the occurrence of the charge-order phase is intimately related to the mechanism of electron-phonon coupling, rather than the Fermi-surface nesting.

cond-mat.str-el↗
arXiv2023

Coupled spin-lattice dynamics from the tight-binding electronic structure

We developed a method which performs the coupled adiabatic spin and lattice dynamics based on the tight-binding electronic structure model, where the intrinsic magnetic field and ionic forces are calculated from the converged self-consistent electronic structure at every time step. By doing so, this method allows us to explore limits where the physics described by a parameterized spin-lattice Hamiltonian is no longer accurate. We demonstrate how the lattice dynamics is strongly influenced by the underlying magnetic configuration, where disorder is able to induce significant lattice distortions. The presented method requires significantly less computational resources than ab initio methods, such as time-dependent density functional theory (TD-DFT). Compared to parameterized Hamiltonian-based methods, it also describes more accurately the dynamics of the coupled spin and lattice degrees of freedom, which becomes important outside of the regime of small lattice and spin fluctuations.

cond-mat.mtrl-sci↗
arXiv2023

SpinView: General Interactive Visual Analysis Tool for Multiscale Computational Magnetism

Multiscale magnetic simulations, including micromagnetic and atomistic spin dynamics simulations, are widely used in the study of complex magnetic systems over a wide range of spatial and temporal scales. The advances in these simulation technologies have generated considerable amounts of data. However, a versatile and general tool for visualization, filtering, and denoising this data is largely lacking. To overcome these limitations, we have developed SpinView, a general interactive visual analysis tool for graphical exploration and data distillation. Combined with dynamic filters and a built-in database, it is possible to generate reproducible publication-quality images, videos, or portable interactive webpages within seconds. Since the basic input to SpinView is a vector field, it can be directly integrated with any spin dynamics simulation tool. With minimal effort on the part of the user, SpinView delivers a simplified workflow, speeds up analysis of complex datasets and trajectories, and enables new types of analysis and insight. SpinView is available from https://mxjk851.github.io/SpinView/

physics.comp-ph↗
arXiv2023

Tunable topological magnetism in superlattices of nonmagnetic B20 systems

We predict topological magnetic properties of B20 systems, that are organized in atomically thin multilayers. In particular we focus on FeSi/CoSi and FeSi/FeGe superlattices with different number of layers and interface structure. We demonstrate that absence of long range magnetic order, previously observed in bulk FeSi and CoSi, is broken near the FeSi/CoSi interface, where a magnetic state with non-trivial topology appears. Using electronic structure calculations in combination with the magnetic force theorem, we calculate the Heisenberg and Dzyaloshinskii-Moriya (DM) interactions in these systems. With this information, we perform atomistic spin dynamics simulations at finite temperature and applied magnetic field for large supercells with up to $2\cdot10^6$ spins to capture the complexity of non-collinear textures induced by the DM interaction. The spin dynamics simulations predict the formation of antiskyrmions in a [001]-oriented FeSi/CoSi multilayer, intermediate skyrmions in a [111]-oriented FeSi/CoSi system and Bloch skyrmions in the FeSi/FeGe (001) system. The size of different types of skyrmions is found to vary between 7 nm and 37 nm. The varying topological magnetic texture in these systems can be attributed to the complex asymmetric structure of the DM micromagnetic matrix, which is different from previously known topological magnets. Furthermore, through structural engineering, we demonstrate that both FM and AFM skyrmions can be stabilized, where the latter are especially appealing for applications due to the zero skyrmion Hall effect. The proposed B20 multilayers show potential for further exploration and call for experimental confirmation.

cond-mat.mtrl-sci↗
arXiv2023

Quantitative theory of magnetic interactions in solids

In this report we review the method of explicit calculations of interatomic exchange interactions of magnetic materials. This involves exchange mechanisms normally referred to as Heisenberg exchange, Dzyaloshinskii-Moriya interaction and anisotropic symmetric exchange. The connection between microscopic theories of the electronic structure, such as density functional theory or dynamical mean field theory, and interatomic exchange, is given in detail. The different aspects of extracting information for an effective spin Hamiltonian that involves thousands of atoms, from electronic structure calculations considering significantly fewer atoms (1-50) is highlighted. Examples of exchange interactions of a large group of materials is presented, which involves heavy elements of the 3d period, alloys between transition metals, Heusler compounds, multilayer systems as well as overlayers and adatoms on a substrate, transition metal oxides, 4f elements, magnetic materials in two dimensions and molecular magnets. Where possible, a comparison to experimental data is made, that naturally becomes focused on the magnon dispersion. The influence of relativity is reviewed for a few cases, as is the importance of dynamical correlations. Development to theories that handle out of equilibrium conditions is also described here. The review ends with a short description of extensions of the theories behind explicit calculations of interatomic exchange, to non-magnetic situations, e.g. that describe chemical (charge) order and superconductivity.

cond-mat.mtrl-sci↗
arXiv2023

Dzyaloshinskii-Moriya interactions, Néel skyrmions and V$_4$ magnetic clusters in multiferroic lacunar spinel GaV$_4$S$_8$

Using ab initio density functional theory with static mean-field correlations, we calculate the Heisenberg and Dzyaloshinskii-Moriya interactions (DMI) for an atomistic spin Hamiltonian for the lacunar spinel, GaV$_4$S$_8$. The parameters describing these interactions are used in atomistic spin dynamics and micromagnetic simulations. The magnetic properties of the lacunar spinel GaV$_4$S$_8$, a material well-known from experiment to host magnetic skyrmions of Néel character, are simulated with these ab initio calculated parameters. The Dzyaloshinskii-Moriya contribution to the micromagnetic energy is a sum of two Lifshitz invariants, supporting the formation of Néel skyrmions and its symmetry agrees with what is usually expected for $C_{3ν}$-symmetric systems. The are several conclusions one may draw from this work. One concerns the quantum nature of the magnetism, where we show that the precise magnetic state of the V$_4$ cluster is crucial for understanding quantitatively the magnetic phase diagram. In particular we demonstrate that a distributed-moment state of each V$_4$ cluster explains well a variety of properties of GaV$_4$S$_8$, such as the band gap, observed Curie temperature and especially the stability of Néel skyrmions in the experimentally relevant temperature and magnetic-field range. In addition, we find that electronic correlations change visibly the calculated value of the DMI.

cond-mat.mtrl-sci↗
arXiv2023

Giant magnetocaloric effect in the (Mn,Fe)NiSi-system

The search for energy-efficient and environmentally friendly cooling technologies is a key driver for the development of magnetic refrigeration based on the magnetocaloric effect (MCE). This phenomenon arises from the interplay between magnetic and lattice degrees of freedom that is strong in certain materials, leading to a change in temperature upon application or removal of a magnetic field. Here we report on a new material, Mn$_{1-x}$Fe$_x$NiSi$_{0.95}$Al$_{0.05}$, with an exceptionally large isothermal entropy at room temperature. By combining experimental and theoretical methods we outline the microscopic mechanism behind the large MCE in this material. It is demonstrated that the competition between the Ni$_2$In-type hexagonal phase and the MnNiSi-type orthorhombic phase, that coexist in this system, combined with the distinctly different magnetic properties of these phases, is a key parameter for the functionality of this material for magnetic cooling.

cond-mat.mtrl-sci↗
arXiv2023

Metaheuristic conditional neural network for harvesting skyrmionic metastable states

We present a metaheuristic conditional neural-network-based method aimed at identifying physically interesting metastable states in a potential energy surface of high rugosity. To demonstrate how this method works, we identify and analyze spin textures with topological charge $Q$ ranging from 1 to $-13$ (where antiskyrmions have $Q<0$) in the Pd/Fe/Ir(111) system, which we model using a classical atomistic spin Hamiltonian based on parameters computed from density functional theory. To facilitate the harvest of relevant spin textures, we make use of the newly developed Segment Anything Model (SAM). Spin textures with $Q$ ranging from $-3$ to $-6$ are further analyzed using finite-temperature spin-dynamics simulations. We observe that for temperatures up to around 20\,K, lifetimes longer than 200\,ps are predicted, and that when these textures decay, new topological spin textures are formed. We also find that the relative stability of the spin textures depend linearly on the topological charge, but only when comparing the most stable antiskyrmions for each topological charge. In general, the number of holes (i.e., non-self-intersecting curves that define closed domain walls in the structure) in the spin texture is an important predictor of stability -- the more holes, the less stable is the texture. Methods for systematic identification and characterization of complex metastable skyrmionic textures -- such as the one demonstrated here -- are highly relevant for advancements in the field of topological spintronics.

physics.comp-ph↗
arXiv2023

Uncovering the role of the light-induced reduction of the inter-atomic exchange in the ultrafast demagnetization of Fe, Co, and Ni

Time resolved measurements of the linear magneto-optical Kerr rotation reveal that, in the {\it 3d} ferromagnets Fe, Co and Ni, the amplitude of the demagnetization increases linearly with the fluence of the light. We rationalize this phenomenon as being linearly driven by the increase in temperature, the electron-phonon and electron-magnon scattering, and a reduction of the inter-atomic exchange. The amplitude of the latter phenomenon, which until the present study has been widely overlooked, is obtained through \textit{ab initio} density functional theory calculations, and is argued to be the principal source of demagnetization in Ni and Co, while still contributing largely in Fe.

cond-mat.mtrl-sci↗