Zhe Yuan

Giant Room Temperature Interface Spin Hall and Inverse Spin Hall Effects.

The spin Hall angle (SHA) is a measure of the efficiency with which a transverse spin current is generated from a charge current by the spin-orbit coupling and disorder in the spin Hall effect (SHE). In a study of the SHE for a Pt|Py (Py=Ni_{80}Fe_{20}) bilayer using a first-principles scattering approach, we find a SHA that increases monotonically with temperature and is proportional to the resistivity for bulk Pt. By decomposing the room temperature SHE and inverse SHE currents into bulk and interface terms, we discover a giant interface SHA that dominates the total inverse SHE current with potentially major consequences for applications.

Interface enhancement of Gilbert damping from first principles

The enhancement of Gilbert damping observed for Ni_{80}Fe_{20} (Py) films in contact with the nonmagnetic metals Cu, Pd, Ta, and Pt is quantitatively reproduced using first-principles scattering calculations. The spin-pumping theory that qualitatively explains its dependence on the Py thickness is generalized to include a number of extra 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.

First-principles calculations of magnetization relaxation in pure Fe, Co and Ni with frozen thermal lattice disorder

The effect of the electron-phonon interaction on magnetization relaxation is studied within the framework of first-principles scattering theory for Fe, Co, and Ni by displacing atoms in the scattering region randomly with a thermal distribution. This frozen thermal lattice disorder approach reproduces the non-monotonic damping behaviour observed in ferromagnetic resonance measurements and yields reasonable quantitative agreement between calculated and experimental values. It can be readily applied to alloys and easily extended by determining the atomic displacements from ab initio phonon spectra.

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.

Gilbert damping in noncollinear ferromagnets

The precession and damping of a collinear magnetization displaced from its equilibrium are well described by the Landau-Lifshitz-Gilbert equation. The theoretical and experimental complexity of noncollinear magnetizations is such that it is not known how the damping is modified by the noncollinearity. We use first-principles scattering theory to investigate transverse domain walls (DWs) of the important ferromagnetic alloy Ni80Fe20 and show that the damping depends not only on the magnetization texture but also on the specific dynamic modes of Bloch and Néel DWs in ways that were not theoretically predicted. Even in the highly disordered Ni80Fe20 alloy, the damping is found to be remarkably nonlocal.

Spin-orbit-coupling-induced domain-wall resistance in diffusive ferromagnets

We investigate diffusive transport through a number of domain wall (DW) profiles of the important magnetic alloy Permalloy taking into account simultaneously noncollinearity, alloy disorder, and spin-orbit-coupling fully quantum mechanically, from first principles. In addition to observing the known effects of magnetization mistracking and anisotropic magnetoresistance, we discover a not-previously identified contribution to the resistance of a DW that comes from spin-orbit-coupling-mediated spin-flip scattering in a textured diffusive ferromagnet. This adiabatic DW resistance, which should exist in all diffusive DWs, can be observed by varying the DW width in a systematic fashion in suitably designed nanowires.

Spin-orbit-coupling induced torque in ballistic domain walls: Equivalence of charge-pumping and nonequilibrium magnetization formalisms

To study the effect of spin-orbit coupling (SOC) on spin-transfer torque in magnetic materials, we have implemented two theoretical formalisms that can accommodate SOC. Using the “charge-pumping” formalism, we find two contributions to the out-of-plane spin-transfer torque parameter β in ballistic Ni domain walls (DWs). For short DWs, the nonadiabatic reflection of conduction electrons caused by the rapid spatial variation of the exchange potential results in an out-of-plane torque that increases rapidly with decreasing DW length. For long DWs, the Fermi level conduction channel anisotropy that gives rise to an intrinsic DW resistance in the presence of SOC leads to a linear dependence of β on the DW length. To understand this counterintuitive divergence of β in the long DW limit, we use the “nonequilibrium magnetization” formalism to examine the spatially resolved spin-transfer torque. The SOC-induced out-of-plane torque in ballistic DWs is found to be quantitatively consistent with the values obtained using the charge-pumping calculations, indicating the equivalence of the two theoretical methods.

Mode-dependent damping in metallic antiferromagnets due to intersublattice spin pumping

Damping in magnetization dynamics characterizes the dissipation of magnetic energy and is essential for improving the performance of spintronics-based devices. While the damping of ferromagnets has been well studied and can be artificially controlled in practice, the damping parameters of antiferromagnetic materials are nevertheless little known for their physical mechanisms or numerical values. Here we calculate the damping parameters in antiferromagnetic dynamics using the generalized scattering theory of magnetization dissipation combined with the first-principles transport computation. For the PtMn, IrMn, PdMn and FeMn metallic antiferromagnets, the damping coefficient associated with the motion of magnetization (

Magnon-phonon relaxation in yttrium iron garnet from first principles

alpha_m

Anisotropic spin relaxation induced by surface spin-orbit effects

) is one to three orders of magnitude larger than the other damping coefficient associated with the variation of the Neel order (