Dmitry V. Fedorov

Bio: Dmitry V. Fedorov is an academic researcher from University of Luxembourg. The author has contributed to research in topics: Spin Hall effect & Scattering. The author has an hindex of 15, co-authored 57 publications receiving 850 citations. Previous affiliations of Dmitry V. Fedorov include Russian Academy of Sciences & Max Planck Society.

First-principle calculations of the Berry curvature of Bloch states for charge and spin transport of electrons

Abstract: Recent progress in wave packet dynamics based on the insight of Berry pertaining to adiabatic evolution of quantum systems has led to the need for a new property of a Bloch state, the Berry curvature, to be calculated from first principles. We report here on the response to this challenge by the ab initio community during the past decade. First we give a tutorial introduction of the conceptual developments we mentioned above. Then we describe four methodologies which have been developed for first-principle calculations of the Berry curvature. Finally, to illustrate the significance of the new developments, we report some results of calculations of interesting physical properties such as the anomalous and spin Hall conductivity as well as the anomalous Nernst conductivity and discuss the influence of the Berry curvature on the de Haas?van Alphen oscillation.

Extrinsic spin Hall effect from first principles.

Abstract: 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.

Spin Hall angle versus spin diffusion length: Tailored by impurities

Abstract: We performed ab initio studies to search for materials where a large spin Hall effect caused by skew scattering is accompanied by a long spin diffusion length. Samples with such properties are promising candidates for all-metallic spintronics devices. Here we consider Cu, Au, and Pt hosts which are typical materials used in experiments. In particular, we identified light impurities such as C and N in Au and heavy impurities such as Bi in Cu to meet this criterion. They exhibit a large spin Hall angle $(\ensuremath{\alpha}g0.06)$ and an appropriate spin diffusion length of about 100 nm. In addition, a pronounced dependence of the spin diffusion length on the scattering properties of the impurity is found for Cu and Au hosts, in contrast to Pt where much smaller variations are obtained.

Extrinsic and Intrinsic Contributions to the Spin Hall Effect of Alloys

Abstract: 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 KuboStryeda-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 Nernst Effect from First Principles

Abstract: 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.

Spin Hall effects

Abstract: In solid-state materials with strong relativistic spin-orbit coupling, charge currents generate transverse spin currents. The associated spin Hall and inverse spin Hall effects distinguish between charge and spin current where electron charge is a conserved quantity but its spin direction is not. This review provides a theoretical and experimental treatment of this subfield of spintronics, beginning with distinct microscopic mechanisms seen in ferromagnets and concluding with a discussion of optical-, transport-, and magnetization-dynamics-based experiments closely linked to the microscopic and phenomenological theories presented.

Quantum electrodynamics

Abstract: THE subject of quantum electrodynamics is extremely difficult, even for the case of a single electron. The usual method of solving the corresponding wave equation leads to divergent integrals. To avoid these, Prof. P. A. M. Dirac* uses the method of redundant variables. This does not abolish the difficulty, but presents it in a new form, which may be dealt with in two ways. The first of these needs only comparatively simple mathematics and is directly connected with an elegant general scheme, but unfortunately its wave functions apply only to a hypothetical world and so its physical interpretation is indirect. The second way has the advantage of a direct physical interpretation, but the mathematics is so complicated that it has not yet been solved even for what appears to be the simplest possible case. Both methods seem worth further study, failing the discovery of a third which would combine the advantages of both.

Introduction To Electrodynamics

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Spin Hall Effects in Metals

Abstract: Spin Hall effects convert charge currents into spin currents and vice versa even in nonmagnetic conductors due to spin orbit coupling. This enables spin Hall effects to be utilized both for the generation and detection of spin currents and magnetization dynamics. This paper reviews the experimental characterization of these effects in metallic systems, which have so far shown the highest efficiency in using spin Hall effects for charge-to-spin interconversion. The advantages and disadvantages of complimentary measurement techniques are discussed and in addition an outlook of the possible impact on applications is presented.

Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications

Abstract: The modern version of the KKR (Korringa–Kohn–Rostoker) method represents the electronic structure of a system directly and efficiently in terms of its single-particle Green's function (GF). This is in contrast to its original version and many other traditional wave-function-based all-electron band structure methods dealing with periodically ordered solids. Direct access to the GF results in several appealing features. In addition, a wide applicability of the method is achieved by employing multiple scattering theory. The basic ideas behind the resulting KKR-GF method are outlined and the different techniques to deal with the underlying multiple scattering problem are reviewed. Furthermore, various applications of the KKR-GF method are reviewed in some detail to demonstrate the remarkable flexibility of the approach. Special attention is devoted to the numerous developments of the KKR-GF method, that have been contributed in recent years by a number of work groups, in particular in the following fields: embedding schemes for atoms, clusters and surfaces, magnetic response functions and anisotropy, electronic and spin-dependent transport, dynamical mean field theory, various kinds of spectroscopies, as well as first-principles determination of model parameters.