XMCD and ab initio study of interface-engineered ultrathin Ru/Co/W/Ru films with perpendicular magnetic anisotropy and strong Dzyaloshinskii-Moriya interaction.

Understanding the nature of recently discovered spin-orbital induced phenomena and a definition of a general approach for "ferromagnet/heavy-metal" layered systems to enhance and manipulate spin-orbit coupling, spin-orbit torque, and the Dzyaloshinskii-Moriya interaction (DMI) assisted by atomic-scale interface engineering are essential for developing spintronics and spin-orbitronics. Here, we exploit X-ray magnetic circular dichroism (XMCD) spectroscopy at the L2,3-edges of 5d and 4d non-magnetic heavy metals (W and Ru, respectively) in ultrathin Ru/Co/W/Ru films to determine their induced magnetic moments due to the proximity to the ferromagnetic layer of Co. The deduced orbital and spin magnetic moments agree well with the theoretically predicted values, highlighting the drastic effect of constituting layers on the system's magnetic properties and the strong interfacial DMI in Ru/Co/W/Ru films. As a result, we demonstrate the ability to simultaneously control the strength of magnetic anisotropy and intermixing-enhanced DMI through the interface engineered inversion asymmetry in thin-film chiral ferromagnets, which are a potential host for stable magnetic skyrmions.

On the origin of the electron accumulation layer at clean InAs(111) surfaces.

In this paper, we provide a comprehensive theoretical analysis of the electronic structure of InAs(111) surfaces with special attention paid to the energy region close to the fundamental bandgap. Starting from the bulk electronic structure of InAs calculated using the PBE functional with the inclusion of Hubbard correction and spin-orbit coupling, we derive proper values for the bandgap, split-off energy, as well as effective electron, light-hole and heavy-hole masses in full consistent with the available experimental results. Besides that we address the projected density of states associated with p orbitals of bulk indium and arsenic atoms. On the basis of optimized atomic surfaces we recover scanning tunneling microscopy images and calculate the band structure and orbital distributions of surface atoms, which along with accessible experimental data make it possible to speculate on the formation of the electron accumulation layer for both As- and In-terminated InAs(111) surfaces. Moreover, these results are accompanied by charge density distribution simulations.

Localized surface electromagnetic waves in CrI3-based magnetophotonic structures.

Resulting from strong magnetic anisotropy two-dimensional ferromagnetism was recently shown to be stabilized in chromium triiodide, CrI3, in the monolayer limit. While its properties remain largely unexplored, it provides a unique material-specific platform to unveil its electromagnetic properties associated with coupling of modes. Indeed, trigonal symmetry in the presence of out-of-plane magnetization results in a non-trivial structure of the conductivity tensor, including the off-diagonal terms. In this paper, we study the surface electromagnetic waves localized in a CrI3-based structure using the results of ab initio calculations for the CrI3 conductivity tensor. In particular, we provide an estimate for the critical angle corresponding to the surface plasmon polariton generation in the Kretschmann-Raether configuration by a detailed investigation of reflectance spectrum as well as the magnetic field distribution for different CrI3 layer thicknesses. We also study the bilayer structure formed by two CrI3 layers separated by a SiO2 spacer and show that the surface plasmon resonance can be achieved at the interface between CrI3 and air depending on the spacer thickness.

Oxygen vacancy in ZnO- w phase: pseudohybrid Hubbard density functional study.

The study of zinc oxide, within the homogeneous electron gas approximation, results in overhybridization of zinc 3d shell with oxygen 2p shell, a problem shown for most transition metal chalcogenides. This problem can be partially overcome by using LDA + U (or, GGA + U) methodology. However, in contrast to the zinc 3d orbital, Hubbard type correction is typically excluded for the oxygen 2p orbital. In this work, we provide results of electronic structure calculations of an oxygen vacancy in ZnO supercell from ab initio perspective, with two Hubbard type corrections, U Zn-3d and U O-2p. The results of our numerical simulations clearly reveal that the account of U O-2p has a significant impact on the properties of bulk ZnO, in particular the relaxed lattice constants, effective mass of charge carriers as well as the bandgap. For a set of validated values of U Zn-3d and U O-2p we demonstrate the appearance of a localized state associated with the oxygen vacancy positioned in the bandgap of the ZnO supercell. Our numerical findings suggest that the defect state is characterized by the highest overlap with the conduction band states as obtained in the calculations with no Hubbard-type correction included. We argue that the electronic density of the defect state is primarily determined by Zn atoms closest to the vacancy.

Another view on Gilbert damping in two-dimensional ferromagnets.

A keen interest towards technological implications of spin-orbit driven magnetization dynamics requests a proper theoretical description, especially in the context of a microscopic framework, to be developed. Indeed, magnetization dynamics is so far approached within Landau-Lifshitz-Gilbert equation which characterizes torques on magnetization on purely phenomenological grounds. Particularly, spin-orbit coupling does not respect spin conservation, leading thus to angular momentum transfer to lattice and damping as a result. This mechanism is accounted by the Gilbert damping torque which describes relaxation of the magnetization to equilibrium. In this study we work out a microscopic Kubo-Streda formula for the components of the Gilbert damping tensor and apply the elaborated formalism to a two-dimensional Rashba ferromagnet in the weak disorder limit. We show that an exact analytical expression corresponding to the Gilbert damping parameter manifests linear dependence on the scattering rate and retains the constant value up to room temperature when no vibrational degrees of freedom are present in the system. We argue that the methodology developed in this paper can be safely applied to bilayers made of non- and ferromagnetic metals, e.g., CoPt.