Seebeck effect in nanomagnets.

We present a theory of the Seebeck effect in nanomagnets with dimensions smaller than the spin diffusion length, showing that the spin accumulation generated by a temperature gradient strongly affects the thermopower. We also identify a correction arising from the transverse temperature gradient induced by the anomalous Ettingshausen effect and an induced spin-heat accumulation gradient. The relevance of these effects for nanoscale magnets is illustrated byab initiocalculations on dilute magnetic alloys.

Terahertz Spin-to-Charge Conversion by Interfacial Skew Scattering in Metallic Bilayers.

The efficient conversion of spin to charge transport and vice versa is of major relevance for the detection and generation of spin currents in spin-based electronics. Interfaces of heterostructures are known to have a marked impact on this process. Here, terahertz (THz) emission spectroscopy is used to study ultrafast spin-to-charge-current conversion (S2C) in about 50 prototypical F|N bilayers consisting of a ferromagnetic layer F (e.g., Ni81 Fe19 , Co, or Fe) and a nonmagnetic layer N with strong (Pt) or weak (Cu and Al) spin-orbit coupling. Varying the structure of the F/N interface leads to a drastic change in the amplitude and even inversion of the polarity of the THz charge current. Remarkably, when N is a material with small spin Hall angle, a dominant interface contribution to the ultrafast charge current is found. Its magnitude amounts to as much as about 20% of that found in the F|Pt reference sample. Symmetry arguments and first-principles calculations strongly suggest that the interfacial S2C arises from skew scattering of spin-polarized electrons at interface imperfections. The results highlight the potential of skew scattering for interfacial S2C and propose a promising route to enhanced S2C by tailored interfaces at all frequencies from DC to terahertz.

Absence of strong skew scattering in crystals with multi-sheeted Fermi surfaces.

We consider an extrinsic contribution to the anomalous and spin Hall effect in dilute alloys based on Fe, Co, Ni, and Pt hosts with different substitutional impurities. It is shown that a strong skew-scattering mechanism is absent in such crystals with multi-sheeted Fermi surfaces. Based on this finding, we conclude on the mutual exclusion of strong intrinsic and skew-scattering contributions to the considered transport phenomena. It also allows us to draw general conclusions in which materials with a giant anomalous Hall effect caused by the skew scattering can be achieved.

The Berry curvature of the Bogoliubov quasiparticle Bloch states in the unconventional superconductor Sr2RuO4.

We will extend the concept of electron band Berry curvatures to superconducting materials. We show that this can be defined for the Bogoliubov-de Gennes equation describing the superconducting state in a periodic crystal. In addition, the concept is exploited to understand the driving mechanism for the optical Kerr effect in time reversal symmetry breaking superconductors. Finally, we establish a sum rule analogue to the normal state Hall sum rule making quantitative contact between the imaginary part of the optical conductivity and the Berry curvature. The general theory will be applied and tested against the drosophila of the p-wave paired materials Sr2RuO4.

Impact of electron-impurity scattering on the spin relaxation time in graphene: a first-principles study.

The effect of electron-impurity scattering on momentum and spin relaxation times in graphene is studied by means of relativistic ab initio calculations. Assuming carbon and silicon adatoms as natural impurities in graphene, we are able to simulate fast spin relaxation observed experimentally. We investigate the dependence of the relaxation times on the impurity position and demonstrate that C or Si adatoms act as real-space spin hot spots inducing spin-flip rates about 5 orders of magnitude larger than those of in-plane impurities. This fact confirms the hypothesis that the adatom-induced spin-orbit coupling leads to fast spin relaxation in graphene.

Extrinsic spin Nernst effect from first principles.

We present an ab initio description of the thermal transport phenomenon called the spin Nernst effect. It refers to generation of a spin accumulation or a pure spin current transverse to an applied temperature gradient. This is similar to the intensively studied spin Hall effect described by intrinsic and extrinsic mechanisms due to an applied electric field. Analogously, several contributions are present for the spin Nernst effect. Here we investigate the extrinsic skew scattering mechanism which is dominant in the limit of dilute alloys. Our calculations are based on a fully relativistic Korringa-Kohn-Rostoker method and a solution of the linearized Boltzmann equation. As a first application, we consider a Cu host with Au, Ti, and Bi impurities.

Extrinsic and intrinsic contributions to the spin Hall effect of alloys.

A fully relativistic description of the spin-orbit induced spin Hall effect is presented that is based on Kubo's linear response formalism. Using an appropriate operator for the spin-current density a Kubo-Streda-like equation for the spin Hall conductivity (SHC) is obtained. An implementation using the Korringa-Kohn-Rostoker band structure method in combination with the coherent potential approximation allow detailed investigations on various alloy systems. A decomposition of the SHC into intrinsic and extrinsic contributions is suggested. Accompanying calculations for the skew-scattering contribution of the SHC using the Boltzmann equation demonstrate the equivalence to the Kubo formalism in the dilute alloy regime and support the suggested decomposition scheme.

Extrinsic spin Hall effect from first principles.

We present an ab initio description of the spin Hall effect in metals. Our approach is based on density functional theory in the framework of a fully relativistic Korringa-Kohn-Rostoker method and the solution of a linearized Boltzmann equation including the scattering-in term (vertex corrections). The skew scattering mechanism at substitutional impurities is considered. Spin-orbit coupling in the host as well as at the impurity atom and the influence of spin-flip processes are fully taken into account. A sign change of the spin Hall effect in Cu and Au hosts is obtained as a function of the impurity atom, and even light elements like Li can cause a strong effect. It is shown that the gigantic spin Hall effect in Au can be caused by skew scattering at C and N impurities which are typical contaminations in a vacuum chamber.

Tunneling magnetoresistance on the subnanometer scale.

The influence of the finite thickness and structure, amorphous or crystalline, of Fe electrodes on the tunneling magnetoresistance (TMR) ratio is investigated by ab initio calculations in Fe/MgO/Fe tunnel junctions. An amorphous Fe layer in direct contact with the MgO barrier causes a low TMR ratio of only 44%. By inserting crystalline Fe monolayers between the barrier and the amorphous Fe the TMR ratio increases rapidly and reaches the same level as for semi-infinite Fe electrodes. Even one crystalline Fe monolayer is sufficient to achieve a giant TMR ratio exceeding 500%. Omitting the amorphous Fe has nearly no influence on the results if there are more than two monolayers of crystalline Fe next to the barrier. The results demonstrate that the reservoirs can even be nonmagnetic. The TMR emerges from the interplay of symmetry selection in the barrier and spin filtering at the electrode-barrier interface.