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The current understanding of chirality suggests the existence of a connection between structure and angular momentum, including spin. This is particularly emphasised in the chiral induced spin selectivity effect, where chiral structures act as spin filters. However, the recent discovery of chiral phonons have demonstrated that phonons too may carry angular momentum which also can be regarded as magnetic moments which add to the total moment. Here, it is shown that chiral phonons may induce a non-trivial spin-texture in an otherwise non-magnetic electronic structure. By considering a set-up in which electrons and phonons are interfaced with each other, it is shown that chiral phonons may transfer its angular momentum into the electron reservoir which, thereby, becomes spin-polarized. It is, moreover, shown that an equivalent mechanism does not exist whenever the electrons are interfaced with achiral phonons., Comment: 5 pages, 2 figures; submitted

We have derived an expression of the Dzyaloshinskii-Moriya (DM) interaction, where all the three components of the DM vector can be calculated independently, for a general, non-collinear magnetic configuration. The formalism is implemented in a real space - linear muffin-tin orbital - atomic sphere approximation (RS-LMTO-ASA) method. We have chosen the Cr triangular trimer on Au(111) and Mn triangular trimers on Ag(111) and Au(111) surfaces as numerical examples. The results show that the DM interaction (module and direction) is drastically different for collinear and non-collinear states. Based on the relation between the spin and charge currents flowing in the system and their coupling to the non-collinear magnetic configuration of the triangular trimer, we demonstrate that the DM interaction can be significant, even in the absence of spin-orbit coupling. This is shown to emanate from the non-collinear magnetic structure, that can induce significant spin and charge currents even with spin-orbit coupling is ignored.

In this theoretical study, we explore the manner in which the quantum correction due to weak localization is suppressed in weakly-disordered graphene, when it is subjected to the application of a non-zero voltage. Using a nonequilibrium Green function approach, we address the scattering generated by the disorder up to the level of the maximally crossed diagrams, hereby capturing the interference among different, impurity-defined, Feynman paths. Our calculations of the charge current, and of the resulting differential conductance, reveal the logarithmic divergence typical of weak localization in linear transport. The main finding of our work is that the applied voltage suppresses the weak localization contribution in graphene, by introducing a dephasing time that decreases inversely with increasing voltage., Comment: Content contained in the theory section of arXiv:1802.09922

Based on a low temperature scanning tunneling microscopy study, we present a direct visualization of a cycloaddition reaction performed for some specific fluorinated maleimide molecules deposited on graphene. These studies showed that the cycloaddition reactions can be carried out on the basal plane of graphene, even when there are no pre-existing defects. In the course of covalently grafting the molecules to graphene, the sp2 conjugation of carbon atoms was broken and local sp3 bonds were created. The grafted molecules perturbed the graphene lattice, generating a standing-wave pattern with an anisotropy which was attributed to a (1,2) cycloaddition, as revealed by T-matrix approximation calculations. DFT calculations showed that while both (1,4) and (1,2) cycloaddition were possible on free standing graphene, only the (1,2) cycloaddition could be obtained for graphene on SiC(0001). Globally averaging spectroscopic techniques, XPS and ARPES, were used to determine the modification in the elemental composition of the samples induced by the reaction, indicating an opening of an electronic gap in graphene., Comment: 20 pages, 6 figures

We demonstrate how a Dirac-like magnon spectrum is generated for localized magnetic moments forming a two-dimensional honeycomb lattice. The Dirac crossing point is proven to be robust against magnon-magnon interactions, as these only shift the spectrum. Local defects induce impurity resonances near the Dirac point, as well as magnon Friedel oscillations. The energy of the Dirac point is controlled by the exchange coupling, and thus a two-dimensional array of magnetic dots is an experimentally feasible realization of Dirac magnons with tunable dispersion., Comment: 6 pages, 2 figures - article as published

A coupled atomistic spin and lattice dynamics approach is developed which merges the dynamics of these two degrees of freedom into a single set of coupled equations of motion. The underlying microscopic model comprises local exchange interactions between the electron spin and magnetic moment and the local couplings between the electronic charge and lattice displacements. An effective action for the spin and lattice variables is constructed in which the interactions among the spin and lattice components are determined by the underlying electronic structure. In this way, expressions are obtained for the electronically mediated couplings between the spin and lattice degrees of freedom, besides the well known inter-atomic force constants and spin-spin interactions. These former susceptibilities provide an atomistic ab initio description for the coupled spin and lattice dynamics. It is important to notice that this theory is strictly bilinear in the spin and lattice variables and provides a minimal model for the coupled dynamics of these subsystems and that the two subsystems are treated on the same footing. Questions concerning time-reversal and inversion symmetry are rigorously addressed and it is shown how these aspects are absorbed in the tensor structure of the interaction fields. By means of these results regarding the spin-lattice coupling, simple explanations of ionic dimerization in double anti-ferromagnetic materials, as well as, charge density waves induced by a non-uniform spin structure are given. In the final parts, a set of coupled equations of motion for the combined spin and lattice dynamics are constructed, which subsequently can be reduced to a form which is analogous to the Landau-Lifshitz-Gilbert equations for spin dynamics and damped driven mechanical oscillator for the ..., Comment: 22 pages, including 7 pages of Appendix and references, 6 figures

Inelastic scattering off magnetic impurities in a spin-chiral two-dimensional electron gas, e.g., the Rashba system, is shown to generate topological changes in the spin texture of the electron waves emanating from the scattering center. While elastic scattering gives rise to a purely in-plane spin texture for an in-plane magnetic scat- tering potential, out-of-plane components emerge upon activation of inelastic scattering processes. This property leads to a possibility to make controlled transitions between trivial and nontrivial topologies of the spin texture., Comment: Five pages, six figures

We show how to engineer enhanced skew scattering and gap-like opening in the surface state of three-dimensional topological insulators using only non-magnetic impurities. Enhanced skew scattering off non-magnetic impurities is obtained as a finite size effect of the scattering potential. Intimately related to the generated skew-scattering is the emergence of a gap-like density of electron states locally around the impurities and surrounded by sharp resonances, with an extended energy gap appearing in engineered impurity structures., Comment: 5 pages, 4 figures, now also with references

The recent experimental observations of designer Dirac Fermions and topological phases in molecular graphene are addressed theoretically. Using scattering theory we calculate the electronic structure of finite lattices of scattering centers dual to the honeycomb lattice. In good agreement with experimental observations, we obtain a V-shaped electron density of states around the Fermi energy. By varying the lattice parameter we simulate electron and hole doping of the structure and by adding and removing scattering centers we simulate respectively vacancy and impurity defects. Specifically for the vacancy defect we verify the emergence of a sharp resonance near the Fermi energy for increasing strength of the scattering potential., Comment: 5 pages, 4 figures, accepted

We formulate a new scheme to study the combined magnetization and lattice dynamics in magnets, so-called magnetoelastics. The coupling between magnetization and lattice are considered through an expansion of electron-phonon coupling, while the magnetization is coupled to electrons through sd-like interaction. We show the that the time-scale of the magnetization dynamics due to coupling between magnetic degrees of freedom and electronic degrees of freedom can be transferred to lattice degrees of freedom and therefore can give rise to lattice dynamics on the same time-scale. This opens a new route to understand and treat ultrafast lattice dynamics induced by magnetization dynamics. We also show that all the parameters necessary to simulate this coupled lattice and magnetization dynamics can be obtained from first-principles., Comment: The paper's been withdrawn due inconsistencies in the model definition. This is has been corrected in a different submission

We address local inelastic scattering from vibrational impurity adsorbed onto graphene and the evolution of the local density of electron states near the impurity from weak to strong coupling regime. For weak coupling the local electronic structure is distorted by inelastic scattering developing peaks/dips and steps. These features should be detectable in the inelastic electron tunneling spectroscopy, $d^2I/dV^2$, using local probing techniques. Inelastic Friedel oscillations distort the spectral density at energies close to the inelastic mode. In the strong coupling limit, a local negative $U$-center forms in the atoms surrounding the impurity site. For those atoms, the Dirac cone structure is fully destroyed, that is, the linear energy dispersion as well as the V-shaped local density of electron states is completely destroyed. We further consider the effects of the negative $U$ formation and its evolution from weak to strong coupling. The negative $U$-site effectively acts as local impurity such that sharp resonances appear in the local electronic structure. The main resonances are caused by elastic scattering off the impurity site, and the features are dressed by the presence of vibrationally activated side resonances. Going from weak to strong coupling, changes the local electronic structure from being Dirac cone like including midgap states, to a fully destroyed Dirac cone with only the impurity resonances remaining., Comment: 7 pages, 5 figures

We predict a transition to metallicity when a sufficient amount of disorder is induced in graphene. Calculations were performed by means of a first principles stochastic quench method. The resulting amorphous graphene can be seen as nanopatches of graphene that are connected by a network of disordered small and large carbon rings. The buckling is minimal and we believe that it is a result of averaging of counteracting random in-plane stress forces. The linear response conductance is obtained by a model theory as function of lattice distortions. Such metallic behaviour is a much desired property for functionalisation of graphene to realize a transparent conductor, e.g. suitable for touch-screen devices.

The electron mediated exchange interaction between local spins adsorbed on two-dimensional surface is studied under non-equilibrium conditions. The effective spin-spin interaction is found to depend both on the spin-polarization of the substrate and the excitation spectrum of the local spins. For spatially anisotropic spin-polarization of the substrate, the spatial dependence of the interaction comprise components decaying as sin(2k_FR)/(2k_FR) and sin(2k_FR)/(2k_FR)^2., Comment: 5 pages, one figure

We report real space imaging measurements of inelastic Friedel oscillations. The inelastic electron tunneling spectroscopy, using scanning tunneling microscopy, around dimers of dichlorobenze adsorbates on Au(111) surface display clear spatial modulations that we attribute to inelastic scattering at the molecular sites caused by molecular vibrations. Due to local interactions between the adsorbate and the surface states, the molecular vibrations generate a redistribution of the charge density at energies in a narrow range around the inelastic mode. Our experimental findings are supported by theoretical arguments., Comment: 4 pages, 4 figures

We consider the magnetic structure on the Fe(001) surface and theoretically study the scanning tunneling spectroscopy using a spin-polarized tip (SP-STM). We show that minority-spin surface states induce a strong bias dependence of the tunneling differential conductance which largely depends on the orientation of the magnetization in the SP-STM tip relative to the easy magnetization axis in the Fe(001) surface. We propose to use this effect in order to determine the spin character of the Fe(001) surface states. This technique can be applied also to other magnetic surfaces in which surface states are observed., Comment: 5 pages, 4 figures

We consider fluctuations of the electronic spin due to coupling to nuclear spin. Noise spectroscopy of an electronic spin can be revealed in the Scanning Tunnelling Microscope (STM). We argue that the noise spectroscopy of electronic spin can reveal the nuclear spin dynamics due to hyperfine coupling. Tunnelling current develops satellites of the main lines at Larmor frequency and at zero frequency due to hyperfine coupling. We also address the role of the rf field that is at or near the resonance with the nuclear hyperfine field. This approach is similar to Electron Nuclear Double Resonance (ENDOR), in that is allows one to detect nuclear spin dynamics indirectly through its effect on electronic spin., Comment: 8 pages latex file, 4 eps figures