Searcharxiv⌕ Search

arXiv subjects

Frank Freimuth

Publications and source records attributed to Frank Freimuth.

At least 55 records · Page 3Linked to original sources
arXiv2017

Non-local field-like spin-orbit torques in Rashba systems: an ab-initio study of Ag$_{2}$Bi/Ag/Fe film

We investigate from first principles the field-like spin-orbit torques (SOTs) in a Ag$_{2}$Bi-terminated Ag(111) film grown on ferromagnetic Fe(110). We find that a large part of the SOT arises from the spin-orbit interaction (SOI) in the Ag$_{2}$Bi layer far away from the Fe layers. These results clearly hint at a long range spin transfer in the direction perpendicular to the film that does not originate in the spin Hall effect. In order to bring evidence of the non-local character of the computed SOT, we show that the torque acting on the Fe layers can be engineered by the introduction of Bi vacancies in the Ag$_{2}$Bi layer. Overall, we find a drastic dependence of the SOT on the disorder type, which we explain by a complex interplay of different contributions to the SOT in the Brillouin zone.

cond-mat.mtrl-sci↗
arXiv2017

Topological spin Hall effect in antiferromagnetic skyrmions

The topological Hall effect (THE), as one of the primary manifestations of non-trivial topology of chiral skyrmions, is traditionally used to detect the emergence of skyrmion lattices with locally ferromagnetic order. In this work we demonstrate that the appearance of non-trivial two-dimensional chiral textures with locally {\it anti}-ferromagnetic order can be detected through the spin version of the THE $-$ the topological spin Hall effect (TSHE). Utilizing the semiclassical formalism, here used to combine chiral antiferromagnetic textures with a density functional theory description of the collinear, degenerate electronic structure, we follow the real-space real-time evolution of electronic SU(2) wavepackets in an external electric field to demonstrate the emergence of sizeable transverse pure spin current in synthetic antiferromagnets of the Fe/Cu/Fe trilayer type. We further unravel the extreme sensitivity of the TSHE to the details of the electronic structure, suggesting that the magnitude and sign of the TSHE in transition-metal synthetic antiferromagnets can be engineered by tuning such parameters as the thickness or band filling. Besides being an important step in our understanding of the topological properties of ever more complex skyrmionic systems, our results bear great potential in stimulating the discovery of antiferromagnetic skyrmions.

cond-mat.mtrl-sci↗
arXiv2016

Surface orbitronics: new twists from orbital Rashba physics

When the inversion symmetry is broken at a surface, spin-orbit interaction gives rise to spin-dependent energy shifts - a phenomenon which is known as the spin Rashba effect. Recently, it has been recognized that an orbital counterpart of the spin Rashba effect - the orbital Rashba effect - can be realized at surfaces even without spin- orbit coupling. Here, we propose a mechanism for the orbital Rashba effect based on sp orbital hybridization, which ultimately leads to the electric polarization of surface states. As a proof of principle, we show from first principles that this effect leads to chiral orbital textures in $\mathbf{k}$-space of the BiAg$_2$ monolayer. In predicting the magnitude of the orbital moment arising from the orbital Rashba effect, we demonstrate the crucial role that the Berry phase theory plays for the magnitude and variation of the orbital textures. As a result, we predict a pronounced manifestation of various orbital effects at surfaces, and proclaim the orbital Rashba effect to be a key platform for surface orbitronics.

cond-mat.mes-hall↗
arXiv2016

Prototypical topological orbital ferromagnet $γ$-FeMn

We predict from first principles an entirely topological orbital magnetization in the noncoplanar bulk antiferromagnet $γ$-FeMn originating in the nontrivial topology of the underlying spin structure, without any reference to spin-orbit interaction. Studying the influence of strain, composition ratio, and spin texture on the topological orbital magnetization and the accompanying topological Hall effect, we promote the scalar spin chirality as key mechanism lifting the orbital degeneracy. The system is thus a prototypical topological orbital ferromagnet, the macroscopic orbital magnetization of which is prominent even without spin-orbit coupling. One of the remarkable features of $γ$-FeMn is the possibility for pronounced orbital magnetostriction mediated by the complex spin topology in real space.

cond-mat.mtrl-sci↗
arXiv2016

Role of Berry phase theory for describing orbital magnetism: From magnetic heterostructures to topological orbital ferromagnets

We address the importance of the modern theory of orbital magnetization for spintronics. Based on an all-electron first-principles approach, we demonstrate that the predictive power of the routinely employed "atom-centered" approximation is limited to materials like elemental bulk ferromagnets, while the application of the modern theory of orbital magnetization is crucial in chemically or structurally inhomogeneous systems such as magnetic thin films, and materials exhibiting non-trivial topology in reciprocal and real space,~e.g.,~Chern insulators or non-collinear systems. We find that the modern theory is particularly crucial for describing magnetism in a class of materials that we suggest here $-$ topological orbital ferromagnets.

cond-mat.mtrl-sci↗
arXiv2016

Laser-induced torques in metallic ferromagnets

We study laser-induced torques in bcc Fe, hcp Co and $L1_0$ FePt based on first-principles electronic structure calculations and the Keldysh nonequilibrium formalism. We find that the torques have two contributions, one from the inverse Faraday effect (IFE) and one from the optical spin-transfer torque (OSTT). Depending on the ferromagnet at hand and on the quasiparticle broadening the two contributions may be of similar magnitude or one contribution may dominate over the other. Additionally, we determine the nonequilibrium spin polarization in order to investigate its relation to the torque. We find the torques and the perpendicular component of the nonequilibrium spin polarization to be odd in the helicity of the laser light, while the spin polarization that is induced parallel to the magnetization is helicity-independent. The parallel component of the nonequilibrium spin polarization is orders of magnitude larger than the perpendicular component. In the case of hcp Co we find good agreement between the calculated laser-induced torque and a recent experiment.

cond-mat.mtrl-sci↗
arXiv2016

Spin-orbit torques in locally and globally non-centrosymmetric crystals: Antiferromagnets and ferromagnets

One of the main obstacles that prevents practical applications of antiferromagnets is the difficulty of manipulating the magnetic order parameter. Recently, following the theoretical prediction [J. Železný et al., PRL 113, 157201 (2014)], the electrical switching of magnetic moments in an antiferromagnet has been demonstrated [P. Wadley et al., Science 351, 587 (2016)]. The switching is due to the so-called spin-orbit torque, which has been extensively studied in ferromagnets. In this phenomena a non-equilibrium spin-polarization exchange coupled to the ordered local moments is induced by current, hence exerting a torque on the order parameter. Here we give a general systematic analysis of the symmetry of the spin-orbit torque in locally and globally non-centrosymmetric crystals. We study when the symmetry allows for a nonzero torque, when is the torque effective, and its dependence on the applied current direction and orientation of magnetic moments. For comparison, we consider both antiferromagnetic and ferromagnetic orders. In two representative model crystals we perform microscopic calculations of the spin-orbit torque to illustrate its symmetry properties and to highlight conditions under which the spin-orbit torque can be efficient for manipulating antiferromagnetic moments.

cond-mat.mtrl-sci↗
arXiv2016

The inverse thermal spin-orbit torque and the relation of the Dzyaloshinskii-Moriya interaction to ground-state energy currents

Using the Kubo linear-response formalism we derive expressions to calculate the heat current generated by magnetization dynamics in magnets with broken inversion symmetry and spin-orbit interaction (SOI). The effect of producing heat currents by magnetization dynamics constitutes the Onsager reciprocal of the thermal spin-orbit torque (TSOT), i.e., the generation of torques on the magnetization due to temperature gradients. We find that the energy current driven by magnetization dynamics contains a contribution from the Dzyaloshinskii-Moriya interaction (DMI), which needs to be subtracted from the Kubo linear response of the energy current in order to extract the heat current. We show that the expressions of the DMI coefficient can be derived elegantly from the DMI energy current. Guided by formal analogies between the Berry phase theory of DMI on the one hand and the modern theory of orbital magnetization on the other hand we are led to an interpretation of the latter in terms of energy currents as well. Based on \textit{ab-initio} calculations we investigate the heat current driven by magnetization dynamics in Mn/W(001) magnetic bilayers. We predict that fast domain walls drive strong ITSOT heat currents.

cond-mat.mes-hall↗
arXiv2016

Spin-orbit torques and spin accumulation in FePt/Pt and Co/Cu thin films from first principles: the role of impurities

Using the Boltzmann formalism based on the first principles electronic structure and scattering rates, we investigate the current-induced spin accumulation and spin-orbit torques in FePt/Pt and Co/Cu bilayers in the presence of substitutional impurities. In FePt/Pt bilayers we consider the effect of intermixing of Fe and Pt atoms in the FePt layer, and find a crucial dependence of spin accumulation and spin-orbit torques on the details of the distribution of these defects. In Co/Cu bilayers we predict that the magnitude and sign of the spin-orbit torque and spin accumulation depend very sensitively on the type of the impurities used to dope the Cu substrate. Moreover, simultaneously with impurity-driven scattering we consider the effect of an additional constant quasiparticle broadening of the states at the Fermi surface to simulate phonon scattering at room temperature, and discover that even a small broadening of the order of 25 meV can drastically influence the magnitude of the considered effects. We explain our findings based on the analysis of the complex interplay of several competing Fermi surface contributions to the spin accumulation and spin-orbit torques in these structurally and chemically non-uniform systems.

cond-mat.mtrl-sci↗
arXiv2015

All electrical manipulation of magnetization dynamics in a ferromagnet by antiferromagnets with anisotropic spin Hall effects

We investigate spin-orbit torques of metallic CuAu-I-type antiferromagnets using spin-torque ferromagnetic resonance tuned by a dc-bias current. The observed spin torques predominantly arise from diffusive transport of spin current generated by the spin Hall effect. We find a growth-orientation dependence of the spin torques by studying epitaxial samples, which may be correlated to the anisotropy of the spin Hall effect. The observed anisotropy is consistent with first-principles calculations on the intrinsic spin Hall effect. Our work demonstrates large tunable spin-orbit effects in magnetically-ordered materials.

cond-mat.mtrl-sci↗
arXiv2015

Direct and inverse spin-orbit torques

In collinear magnets lacking inversion symmetry application of electric currents induces torques on the magnetization and conversely magnetization dynamics induces electric currents. The two effects, which both rely on spin-orbit interaction (SOI), are reciprocal to each other and denoted direct spin-orbit torque (SOT) and inverse spin-orbit torque (ISOT), respectively. We derive expressions for SOT and ISOT within the Kubo linear response formalism. We show that expressions suitable for density-functional theory calculations can be derived either starting from a Kohn-Sham Hamiltonian with time-dependent exchange field or by expressing general susceptibilities in terms of the Kohn-Sham susceptibilities. For the case of magnetic bilayer systems we derive the general form of the ISOT current induced under ferromagnetic resonance. Using \textit{ab initio} calculations within density-functional theory we investigate SOT and ISOT in Co/Pt(111) magnetic bilayers. We determine the spatial distribution of spin and charge currents as well as torques in order to expose the mechanisms underlying SOT and ISOT and to highlight their reciprocity on the microscopic level. We find that the spin Hall effect is position-dependent close to interfaces.

cond-mat.mtrl-sci↗
arXiv2015

Electrical switching of an antiferromagnet

Louis Neel pointed out in his Nobel lecture that while abundant and interesting from a theoretical viewpoint, antiferromagnets did not seem to have any applications. Indeed, the alternating directions of magnetic moments on individual atoms and the resulting zero net magnetization make antiferromagnets hard to control by tools common in ferromagnets. Remarkably, Neel in his lecture provides the key which, as we show here, allows us to control antiferromagnets by electrical means analogous to those which paved the way to the development of ferromagnetic spintronics applications. The key noted by Neel is the equivalence of antiferromagnets and ferromagnets for effects that are an even function of the magnetic moment. Based on even-in-moment relativistic transport phenomena, we demonstrate room-temperature electrical switching between two stable configurations combined with electrical read-out in antiferromagnetic CuMnAs thin film devices. Our magnetic memory is insensitive to and produces no magnetic field perturbations which illustrates the unique merits of antiferromagnets for spintronics.

cond-mat.mes-hall↗
arXiv2015

Higher dimensional Wannier functions of multi-parameter Hamiltonians

When using Wannier functions to study the electronic structure of multi-parameter Hamiltonians $H^{(\boldsymbol k,\bf λ)}$ carrying a dependence on crystal momentum $\boldsymbol k$ and an additional periodic parameter $\bfλ$, one usually constructs several sets of Wannier functions for a set of values of $\bfλ$. We present the concept of higher dimensional Wannier functions (HDWFs), which provide a minimal and accurate description of the electronic structure of multi-parameter Hamiltonians based on a single set of HDWFs. The obstacle of non-orthogonality of Bloch functions at different $\bfλ$ is overcome by introducing an auxiliary real space, which is reciprocal to the parameter $\bfλ$. We derive a generalized interpolation scheme and emphasize the essential conceptual and computational simplifications in using the formalism, for instance, in the evaluation of linear response coefficients. We further implement the necessary machinery to construct HDWFs from ab initio within the full-potential linearized augmented plane-wave method (FLAPW). We apply our implementation to accurately interpolate the Hamiltonian of a one-dimensional magnetic chain of Mn atoms in two important cases of $\bfλ$: (i) the spin-spiral vector $\boldsymbol q$, and (ii) the direction of the ferromagnetic magnetization $\hat{\boldsymbol m}$. Using the generalized interpolation of the energy, we extract the corresponding values of magneto-crystalline anisotropy energy, Heisenberg exchange constants, and spin stiffness, which compare very well with the values obtained from direct first principles calculations. For toy models we demonstrate that the method of HDWFs can also be used in applications such as the virtual crystal approximation, ferroelectric polarization and spin torques.

cond-mat.mtrl-sci↗
arXiv2014

Spin-orbit torques in Co/Pt(111) and Mn/W(001) magnetic bilayers from first principles

An applied electric current through a space-inversion asymmetric magnet induces spin-orbit torques (SOTs) on the magnetic moments, which holds much promise for future memory devices. We discuss general Green's function expressions suitable to compute the linear-response SOT in disordered ferromagnets. The SOT can be decomposed into an even and an odd component with respect to magnetization reversal, where in the limit of vanishing disorder the even SOT is given by the constant Berry curvature of the occupied states, while the odd part exhibits a divergence with respect to disorder strength. Within this formalism, we perform first principles density-functional theory calculations of the SOT in Co/Pt(111) and Mn/W(001) magnetic bilayers. We find the even and odd torque components to be of comparable magnitude. Moreover, the odd torque depends strongly on an additional capping layer, while the even torque is less sensitive. We show that the even torque is nearly entirely mediated by spin currents in contrast to the odd torque, which can contain an important contribution not due to spin transfer. Our results are in agreement with experiments, showing that our linear response theory is well-suited for the description of SOTs in complex ferromagnets.

cond-mat.mtrl-sci↗
arXiv2014

Spin-orbit torques in L1$_0$-FePt/Pt thin films driven by electrical and thermal currents

Using the linear response formalism for the spin-orbit torque (SOT) we compute from first principles the SOT in a system of two layers of L1$_0$-FePt(001) deposited on an fcc Pt(001) substrate of varying thickness. We find that at room temperature the values of the SOTs that are even and odd with respect to magnetization generally lie in the range of values measured and computed for Co/Pt bilayers. We also observe that the even SOT is much more robust with respect to changing the number of layers in the substrate, and as a function of energy it follows the general trend of the even SOT exerted by the spin Hall current in fcc Pt. The odd torque, on the other hand, is strongly affected by modification of the electronic structure for a specific energy window in the limit of very thin films. Moreover, taking the system at hand as an example, we compute the values of the thermal spin-orbit torque (T-SOT). We predict that the gradients of temperature which can be experimentally created in this type of systems will cause a detectable torque on the magnetization. We also underline the correlation between the even T-SOT and the spin Nernst effect, thus motivating a more intensive experimental effort aimed at observation of both phenomena.

cond-mat.mtrl-sci↗
arXiv2013

Anomalous Hall effect in ferromagnets with Gaussian disorder

Using the Kubo formalism we derived expressions and implemented the method for calculating the anomalous Hall conductivity (AHC) in ferromagnets with short-range Gaussian disorder directly from first-principles electronic structure of the perfect crystal. We used this method to calculate the AHC in bcc Fe, fcc Co, L1o-FePd, L1o-FePt as well as thin bcc Fe(001) films. Within our approach we can transparently decompose the conductivity into intrinsic (IC), side jump (SJ) and intrinsic skew-scattering (ISK) contributions. The existence of ISK, which originates from asymmetric Mott scattering but is clearly distinguishable from conventional skew-scattering in that it converges to a finite value in clean limit, was pointed out by Sinitsyn et al. [Phys. Rev. B 75, 045315 (2007)]. Here, we collect all contributions to the AHC in ferromagnets which result in "scattering-independent" AHE in clean limit, and analyze their relative magnitude from first principles calculations. By comparing our results to existing experiments we show that the Gaussian disorder is well suited to model various types of disorder present in real materials, to some extent including the effect of temperature. In particular, we show that in addition to intrinsic and side-jump AHE, the intrinsic skew-scattering can be a major player in determining the magnitude of the AHE in ferromagnets.

cond-mat.mes-hall↗
arXiv2013

Phase-Space Berry Phases in Chiral Magnets: Dzyaloshinskii-Moriya Interaction and the Charge of Skyrmions

The semiclassical motion of electrons in phase space, x=(R, k), is influenced by Berry phases described by a 6-component vector potential, A=(A^R, A^k). In chiral magnets Dzyaloshinskii-Moriya (DM) interactions induce slowly varying magnetic textures (helices and skyrmion lattices) for which all components of A are important inducing effectively a curvature in mixed position and momentum space. We show that for smooth textures and weak spin-orbit coupling phase space Berry curvatures determine the DM interactions and give important contributions to the charge. Using ab initio methods we calculate the strength of DM interactions in MnSi in good agreement with experiment and estimate the charge of skyrmions.

cond-mat.str-el↗