Interface enhancement of Gilbert damping from first-principles

The enhancement of Gilbert damping observed for Ni80Fe20 (Py) films in contact with the non-magnetic metals Cu, Pd, Ta and Pt, is quantitatively reproduced using first-principles scattering theory. The "spin-pumping" theory that qualitatively explains its dependence on the Py thickness is generalized to include a number of factors known to be important for spin transport through interfaces. Determining the parameters in this theory from first-principles shows that interface spin-flipping makes an essential contribution to the damping enhancement. Without it, a much shorter spin-flip diffusion length for Pt would be needed than the value we calculate independently

Gilbert damping in noncollinear ferromagnets

The precession and damping of a collinear magnetization displaced from its equilibrium are described by the Landau-Lifshitz-Gilbert equation. For a noncollinear magnetization, it is not known how the damping should be described. We use first-principles scattering theory to investigate the damping in one-dimensional transverse domain walls (DWs) of the important ferromagnetic alloy Ni$_{80}$Fe$_{20}$ and interpret the results in terms of phenomenological models. The damping is found to depend not only on the magnetization texture but also on the specific dynamic modes of Bloch and N\'eel DWs. Even in the highly disordered Ni$_{80}$Fe$_{20}$ alloy, the damping is found to be remarkably nonlocal.Comment: Final version accepted by Physical Review Letter

Direct Method for Calculating Temperature-Dependent Transport Properties

We show how temperature-induced disorder can be combined in a direct way with first-principles scattering theory to study diffusive transport in real materials. Excellent (good) agreement with experiment is found for the resistivity of Cu, Pd, Pt (and Fe) when lattice (and spin) disorder are calculated from first principles. For Fe, the agreement with experiment is limited by how well the magnetization (of itinerant ferromagnets) can be calculated as a function of temperature. By introducing a simple Debye-like model of spin disorder parameterized to reproduce the experimental magnetization, the temperature dependence of the average resistivity, the anisotropic magnetoresistance and the spin polarization of a Ni$_{80}$Fe$_{20}$ alloy are calculated and found to be in good agreement with existing data. Extension of the method to complex, inhomogeneous materials as well as to the calculation of other finite-temperature physical properties within the adiabatic approximation is straightforward.Comment: Accepted as a Rapid Communication in Physical Review

Calculating the transport properties of magnetic materials from first-principles including thermal and alloy disorder, non-collinearity and spin-orbit coupling

A density functional theory based two-terminal scattering formalism that includes spin-orbit coupling and spin non-collinearity is described. An implementation using tight-binding muffin-tin orbitals combined with extensive use of sparse matrix techniques allows a wide variety of inhomogeneous structures to be flexibly modelled with various types of disorder including temperature induced lattice and spin disorder. The methodology is illustrated with calculations of the temperature dependent resistivity and magnetization damping for the important substitutional disordered magnetic alloy Permalloy (Py), Ni$_{80}$Fe$_{20}$. Comparison of calculated results with recent experimental measurements of the damping (including its temperature dependence) indicates that the scattering approach captures the most important contributions to this important property.Comment: 26 pages, 24 figure