0000000000342144
AUTHOR
Ming-hung Wu
Spin accumulation from nonequilibrium first principles methods
For the technologically relevant spin Hall effect, most theoretical approaches rely on the evaluation of the spin-conductivity tensor. In contrast, for most experimental configurations the generation of spin accumulation at interfaces and surfaces is the relevant quantity. Here, we directly calculate the accumulation of spins due to the spin Hall effect at the surface of a thin metallic layer, making quantitative predictions for different materials. Two distinct limits are considered, both relying on a fully relativistic Korringa-Kohn-Rostoker density functional theory method. In the semiclassical approach, we use the Boltzmann transport formalism and compare it directly with a fully quantu…
Magnetic impurities on superconducting Pb surfaces
It has been predicted theoretically and found experimentally that magnetic impurities induce localized bound states within the superconducting energy gap, called Yu-Shiba-Rusinov (YSR) states. Combining symmetry analysis with experimental findings provides a convincing argument for the energy splitting and distribution of the YSR peaks, but the full details of the electronic structure remain elusive and simple models with point scatterers lack the full orbital complexity required to meet this challenge. In this work we combine a Greens function based first-principles method, which incorporates a phenomenological parameterization of the superconducting state, with orbitally complex impurity …
Magnetic anisotropy in Fe/U and Ni/U bilayers
Magnetometry measurements of Fe/U and Ni/U bilayer systems reveal a non-monotonic dependence of the magnetic anisotropy for U thicknesses in the range 0 nm - 8 nm, with the Fe/U bilayers showing a more prominent effect as compared to Ni/U. The stronger response for Fe/U is ascribed to the stronger 3d-5f hybridization of Fe and U. This non-monotonic behaviour is thought to arise from quantum well states in the uranium overlayers. Estimating an oscillation period from the non-monotonic data, and comparing it to Density Functional Theory calculations, we find that wavevector matches to the experimental data can be made to regions of high spectral density in (010) and (100) cuts of the electron…
Spin accumulation in metallic thin films induced by electronic impurity scattering
In order to explore the spin accumulation, evaluating the spin galvanic and spin Hall effect, we utilize the semi-classical Boltzmann equation based on input from the relativistic Korringa-Kohn-Rostoker Green's function method, within the density functional theory. We calculate the spin accumulation including multiple contributions, especially skew-scattering (scattering-in term) and compare this to three different approximations, which include the isotropic and anisotropic relaxation time approximation. For heavy metals, with strong intrinsic spin-orbit coupling, we find that almost all the effects are captured within the anisotropic relaxation time approximation. On the other hand, in lig…