Geometric Phases and Topological Effects

Lecture Notes of the 45th IFF Spring School "Computing Solids - Models, ab initio methods and supercomputing" (Forschungszentrum Juelich, 2014).Comment: 40 pages. January 201

The relation of the Dzyaloshinskii-Moriya interaction to spin currents and to the spin-orbit field

Starting from the general Berry phase theory of the Dzyaloshinskii-Moriya interaction (DMI) we derive an expression for the linear contribution of the spin-orbit interaction (SOI). Thereby, we show analytically that at the first order in SOI DMI is given by the ground-state spin current. We verify this finding numerically by ab-initio calculations in Mn/W(001) and Co/Pt(111) magnetic bilayers. We show that despite the strong SOI from the 5$d$ heavy metals DMI is well-approximated by the first order in SOI, while the ground-state spin current is not. We decompose the SOI-linear contribution to DMI into two parts. One part has a simple interpretation in terms of the Zeeman interaction between the spin-orbit field and the spin misalignment that electrons acquire in magnetically noncollinear textures. This interpretation provides also an intuitive understanding of the symmetry of DMI on the basis of the spin-orbit field and it explains in a simple way why DMI and ground-state spin currents are related. Moreover, we show that energy currents driven by magnetization dynamics and associated to DMI can be explained by counter-propagating spin currents that carry energy due to their Zeeman interaction with the spin-orbit field. Finally, we discuss options to modify DMI by nonequilibrium spin currents excited by electric fields or light

Competing magnetic anisotropies in atomic-scale junctions

Using first-principles calculations, we study the magnetism of 5d transition-metal atomic junctions including structural relaxations and spin-orbit coupling. Upon stretching monatomic chains of W, Ir, and Pt suspended between two leads, we find the development of strong magnetism and large values of the magnetocrystalline anisotropy energy (MAE) of up to 30 meV per chain atom. We predict that switches of the easy magnetization axis of the nanocontacts upon elongation should be observable by ballistic anisotropic magnetoresistance measurements. Due to the different local symmetry, the contributions to the MAE of the central chain atoms and chain atoms in the vicinity of the leads can have opposite signs which reduces the total MAE. We demonstrate that this effect occurs independent of the chain length or geometry of the electrodes.Comment: accepted for publication in Phys. Rev.

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

Spin-orbit torques and tunable Dzyaloshinskii-Moriya interaction in Co/Cu/Co trilayers

We study the spin-orbit torques (SOTs) in Co/Cu/Co magnetic trilayers based on first-principles density-functional theory calculations in the case where the applied electric field lies in-plane, i.e., parallel to the interfaces. We assume that the bottom Co layer has a fixed in-plane magnetization, while the top Co layer can be switched. We find that the SOT on the top ferromagnet can be controlled by the bottom ferromagnet because of the nonlocal character of the SOT in this system. As a consequence the SOT is anisotropic, i.e., its magnitude varies with the direction of the applied electric field. We show that the Dzyaloshinskii-Moriya interaction (DMI) in the top layer is anisotropic as well, i.e., the spin-spiral wavelength of spin-spirals in the top layer depends on their in-plane propagation direction. This effect suggests that DMI can be tuned easily in magnetic trilayers via the magnetization direction of the bottom layer. In order to understand the influence of the bottom ferromagnet on the SOTs and the DMI of the top ferromagnet we study these effects in Co/Cu magnetic bilayers for comparison. We find the SOTs and the DMI to be surprisingly large despite the small spin-orbit interaction of Cu

Chiral damping, chiral gyromagnetism and current-induced torques in textured one-dimensional Rashba ferromagnets

We investigate Gilbert damping, spectroscopic gyromagnetic ratio and current-induced torques in the one-dimensional Rashba model with an additional noncollinear magnetic exchange field. We find that the Gilbert damping differs between left-handed and right-handed N\'eel-type magnetic domain walls due to the combination of spatial inversion asymmetry and spin-orbit interaction (SOI), consistent with recent experimental observations of chiral damping. Additionally, we find that also the spectroscopic $g$ factor differs between left-handed and right-handed N\'eel-type domain walls, which we call chiral gyromagnetism. We also investigate the gyromagnetic ratio in the Rashba model with collinear magnetization, where we find that scattering corrections to the $g$ factor vanish for zero SOI, become important for finite spin-orbit coupling, and tend to stabilize the gyromagnetic ratio close to its nonrelativistic value

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

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.Comment: 5 pages, 1 figure; 5 pages of supplemental material with 1 figure; substantial changes: Berry phase theory of DM interactions + extra Fermi surface contribution

Scattering-Independent Anomalous Nernst Effect in Ferromagnets

Using the full-potential linearized augmented plane-wave method within the density functional theory, we compute all contributions to the scattering independent part of the thermoelectric conductivity tensor, namely the intrinsic contribution and the side-jump contribution. For the ferromagnetic materials bcc Fe, hcp Co, fcc Ni and L1_0 ordered alloys FePd and FePt, our investigations of the energy and temperature dependence of the intrinsic and side-jump contributions show that they are both of equal importance. Overall, our calculations are able to correctly reproduce the order of magnitude and sign of the experimentally measured signal, suggesting that the scattering independent part plays an important role in the anomalous Nernst effect of ferromagnets.Comment: 5 pages, 2 figures plus supplement, accepted for publication as a Rapid Communication in Physical Review

Spin-orbit torques in L10_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.Comment: 8 pages, 4 figure