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The discovery of the chiral induced spin selectivity effect has provided a novel tool to study how active physical and chemical mechanism may differ in chiral enantiomers, however, the origin of the effect itself is yet an open question. In this article, it is theoretically shown that two aspects have to be fulfilled for the chiral induced spin selectivity effect to arise. First, chirality is a necessary condition for breaking spin-degeneracy in molecular structures that do not comprise heavy elements. Second, dissipation is indispensable for the molecule to develop a non-vanishing spin-polarization. These theoretical conclusions are illustrated in terms of a few examples, showing the necessity of the two aspects to be coordinated for the emergence of the chiral induced spin selectivity effect., Comment: 6 pages, 4 figures; submitted

A regular coherent state (CS) is a special type of quantum state for boson particles placed in a single site. The defining feature of the CS is that it is an eigenmode of the annihilation operator. The construction easily generalizes to the case of a finite number of sites. However, the challenge is altogether different when one considers an infinite array of sites. In this work we demonstrate a mathematically rigorous construction that resolves the latter case. The resulting nonlocal coherent states (NCS) are simultaneous eigenmodes for all of the infinitely many annihilation operators acting in the infinite array's Fock space. Our construction fundamentally relies on Dirichlet series-based analysis and number theoretic arguments., Comment: 20 pages, 1 figure, submittted

Closed shell molecular structures are under normal conditions time-reversal invariant. Experimental evidences point, however, towards that this invariance may be locally violated when the structure is in contact with a particle reservoir. The mechanisms behind such local symmetry breaking are not clear by any means. By considering a minimal model for a closed shell structure, here we propose that the symmetry breaking may result from a combination of internal and/or external interactions. It is shown that a magnetic moment of a localized electron level can be generated and maintained under the influence of such combination. The theoretical results should cast new light on the mechanisms that may form magnetic properties in molecular compounds., Comment: Seven pages, seven figures; submitted

Magnetic phenomena are in chemistry and condensed matter physics considered to be associated with low temperatures. That a magnetic state, or order, is stable below a critical temperature as well as becoming stronger the lower the temperature is a nearly unquestioned paradigm. It is, therefore, surprising that recent experimental observation made on supramolecular aggregates suggest that, for instance, the magnetic coercivity may increase with increasing temperature, as well as the chiral induced spin selectivity effect may be enhanced. Here, a mechanism for vibrationally stabilized magnetism is proposed and a theoretical model is introduced with which the qualitative aspects of the recent experimental findings can be explained. It is argued that anharmonic vibrations, which become increasingly occupied with increasing temperature, enables nuclear vibrations to both stabilize and sustain magnetic states. The theoretical proposal, hence, pertains to structures without inversion and/or reflection symmetries, for instance, chiral molecules and crystals., Comment: Six pages, five figures; submitted

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

The chiral induced spin selectivity effect is an excited states phenomenon, which can be probed using photo-spectroscopy as well as transport measurements. On the one hand such measurements represent averaged quantities, on the other hand nearly all theoretical descriptions, with only a few exceptions, have been concerned with energy dependent properties of the pertinent structures. While those properties may or may not be relevant for the chiral induced spin selectivity effect, many of those properties have been attributed as being the, or part of the, origins of the effect. Here, it is demonstrated that, for instance, the spin-resolved transmission provides little, if any, information about the chiral induced spin selectivity effect. Moreover, although effective single-electron theory can be used in this context, reasons are given for why such descriptions are not viable., Comment: 11 pages, 10 figures; submitted

Charge and spin dynamics is addressed in chiral molecules immediately after the instantaneous coupling to an external metallic reservoir. It is shown how a spin-polarization is induced in the chiral structure as a response to the charge dynamics. The dynamics indicate that chiral induced spin selectivity is an excited states phenomenon which, in the transient regime partly can be captured using a simplistic single particle description, however, in the stationary limit definitively shows that electron correlations, e.g., electron-vibration interactions, crucially contribute to sustain an intrinsic spin anisotropy that can lead to a non-vanishing spin selectivity. The dynamics, moreover, provide insight to enantiomer separation, due to different acquired spin-polarizations., Comment: Seven pages, three figures; J. Phys. Chem. Lett (2022)

We introduce a new method for analysing the Bose-Hubbard model for an array of bosons with nearest neighbor interactions. It is based on a number-theoretic implementation of the creation and annihilation operators that constitute the model. One of the advantages of this approach is that it facilitates computation with arbitrary accuracy, enabling nearly perfect numerical experimentation. In particular, we provide a rigorous computer assisted proof of quantum phase transitions in finite systems of this type. Furthermore, we investigate properties of the infinite array via harmonic analysis on the multiplicative group of positive rationals. This furnishes an isomorphism that recasts the underlying Fock space as an infinite tensor product of Hecke spaces, i.e., spaces of square-integrable periodic functions that are a superposition of non-negative frequency harmonics. Under this isomorphism, the number-theoretic creation and annihilation operators are mapped into the Kastrup model of the harmonic oscillator on the circle. It also enables us to highlight a kinship of the model at hand with an array of spin moments with a local anisotropy field. This identifies an interesting physical system that can be mapped into the model at hand., Comment: 12 pages, 3 figures; submitted; accepted in Quantum

Chiral induced spin selectivity is a phenomenon that has been attributed to chirality, spin-orbit interactions, and non-equilibrium conditions, while the role of electron exchange and correlations have been investigated only marginally until very recently. However, as recent experiments show that chiral molecules acquire a finite spin-polarization merely by being in contact with a metallic surface, these results suggest that electron correlations play a more crucial role for the emergence of the phenomenon than previously thought. Here, it is demonstrated that molecular vibrations give rise to molecular charge redistribution and accompanied spin-polarization when coupling a chiral molecule to a non-magnetic metal. It is, moreover, shown that enantiomer separation, due to spin-polarization intimately related to the chirality, can be understood in terms of the proposed model., Comment: Six pages, fours 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.

Mesoscopic conductance fluctuations are a ubiquitous signature of phase-coherent transport in small conductors, exhibiting universal character independent of system details. In this work, however, we demonstrate a pronounced breakdown of this universality, due to the interplay of local and remote phenomena in transport. Our experiments are performed in a graphene-based interaction-detection geometry, in which an artificial magnetic texture is induced in the graphene layer by covering a portion of it with a micromagnet. When probing conduction at some distance from this region, the strong influence of remote factors is manifested through the appearance of giant conductance fluctuations, with amplitude much larger than $e^2/h$. This violation of one of the fundamental tenets of mesoscopic physics dramatically demonstrates how local considerations can be overwhelmed by remote signatures in phase-coherent conductors

Electron exchange and correlations emerging from the coupling between ionic vibrations and electrons are addressed. Spin-dependent electron-phonon coupling originates from the spin-orbit interaction, and it is shown that such electron-phonon coupling introduces exchange splitting between the spin channels in the structure. By application of these results to a model for a chiral molecular structure mounted between metallic leads, the chirality induced spin selectivity is found to become several tens of percents using experimentally feasible parameters., Comment: Six pages, one figure -- submitted

Recent studies of mutually interacting magnetic atoms coupled to a superconductor have gained enormous interest due to the potential realization of topological superconductivity. The Kondo exchange coupling J_K of such atoms with the electrons in the superconductor has a pair-breaking effect which produces so-called Yu-Shiba-Rusinov (YSR) states within the superconducting energy gap, whose energetic positions are intimately connected with the requirements for topological superconductivity. Here, using the tip of a scanning tunneling microscope, we artificially craft a multi-impurity Kondo system coupled to a superconducting host consisting of an Fe adatom interacting with an assembly of interstitial Fe atoms on an oxygen-reconstructed Ta(100) surface and we experimentally investigate the signatures of Kondo screening and the YSR states. With the help of numerical renormalization group (NRG) calculations, we show that the observed behavior can be qualitatively reproduced by a two-impurity Kondo system whose inter-impurity antiferromagnetic interaction J is adjusted by the number of interstitial Fe atoms in the assembly. When driving the system from the regime of two decoupled Kondo singlets (small J) to that of an antiferromagnetic dimer (large J), the YSR state shows a characteristic cross-over in its energetic position and particle-hole asymmetry., Comment: 34 pages, 4 figures, 6 supplementary figures

Chirality induced spin selectivity, discovered about two decades ago in helical molecules, is a non-equilibrium effect that emerges from the interplay between geometrical helicity and spin-orbit interactions. Several model Hamiltonians building on this interplay have been proposed and while these can yield spin-polarized transport properties that agrees with experimental observations, they simultaneously depend on unrealistic values of the spin-orbit interaction parameters. It is likely, however, that a common deficit originates from the fact that all these models are uncorrelated, or, single-electron theories. Therefore, chirality induced spin selectivity is, here, addressed using a many-body approach, which allows for non-equilibrium conditions and a systematic treatment of the correlated state. The intrinsic molecular spin-polarization increases by two orders of magnitudes, or more, compared to the corresponding result in the uncorrelated model. In addition, the electronic structure responds to varying external magnetic conditions which, therefore, enables comparisons of the currents provided for different spin-polarizations in one of the (or both) leads between which the molecule is mounted. Using experimentally feasible parameters and room temperature, the obtained normalized difference between such currents may be as large as 5 - 10 % for short molecular chains, clearly suggesting the vital importance of including electron correlations when searching for explanations of the phenomenon., Comment: 7 pages, 4 figures; submitted

To mitigate climate change, our global society is harnessing direct (solar irradiation) and indirect (wind/water flow) sources of renewable electrical power generation. Emerging direct sources include current-producing thermal gradients in thermoelectric materials, while quantum physics-driven processes to convert quantum information into energy have been demonstrated at very low temperatures. The magnetic state of matter, assembled by ordering the electron's quantum spin property, represents a sizeable source of built-in energy. We propose to create a direct source of electrical power at room temperature (RT) by utilizing magnetic energy to harvest thermal fluctuations on paramagnetic (PM) centers. Our spin engine rectifies current fluctuations across the PM centers' spin states according to the electron spin by utilizing so-called 'spinterfaces' with high spin polarization. As a rare experimental event, we demonstrate how this path can generate 0.1nW at room temperature across a 20 micron-wide spintronic device called the magnetic tunnel junction, assembled using commonplace Co, C and MgO materials. The presence of this path in our experiment, which also generates very high spintronic performance, is confirmed by analytical and ab-initio calculations. Device downscaling, and the ability for other materials systems than the spinterface to select a transport spin channel at RT widens opportunities for routine device reproduction. The challenging control over PM centers within the tunnel barrier's nanotransport path may be addressed using oxide- and organic-based nanojunctions. At present densities in MRAM products, this spin engine could lead to 'always-on' areal power densities well beyond that generated by solar irradiation on earth. Further developing this concept can fundamentally alter our energy-driven society's global economic, social and geopolitical constructs.

We address the electronically induced anisotropy field acting on a spin moment comprised in a vibrating magnetic molecule located in the junction between ferromagnetic metals. Under weak coupling between the electrons and molecular vibrations, the nature of the anisotropy can be changed from favoring a high spin (easy axis) magnetic moment to a low spin (easy plane) by applying a temperature difference or a voltage bias across the junction. For unequal spin-polarizations in the ferromagnetic metals it is shown that the character of the anisotropy is essentially determined by the properties of the weaker ferromagnet. By increasing the temperature in this metal, or introducing a voltage bias, its influence can be suppressed such that the dominant contribution to the anisotropy is interchanged to the stronger ferromagnet. With increasing coupling strength between the molecular vibrations and the electrons, the nature of the anisotropy is locked into favoring easy plane magnetism., Comment: 8 pages, 5 figures, submitted

The differential conductance of graphene is shown to exhibit a zero-bias anomaly at low temperatures, arising from a suppression of the quantum corrections due to weak localization and electron interactions. A simple rescaling of these data, free of any adjustable parameters, shows that this anomaly exhibits a universal, temperature- ($T$) independent form. According to this, the differential conductance is approximately constant at small voltages ($V

We address the shot noise in the tunneling current through a localized spin, pertaining to recent experiments on magnetic adatoms and single molecular magnets. We show that both uncorrelated and spin-correlated scattering processes contribute vitally to the noise spectrum. The spin-correlated scattering processes provide an additional contribution to the Landauer-B\"uttiker shot noise expression, accounting for correlations between the tunneling electrons and the localized spin moment. By calculating the Fano factor, we show that both super- and sub-Poissonian shot noise can be described within our approach. Our theory provides transparent insights to noise spectroscopy, consistent with recent experiments using local probing techniques on magnetic atoms., Comment: 7 pages, 4 figures, submitted

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

We consider charge and thermal transport properties of magnetically active paramagnetic molecular dimer. Generic properties for both transport quantities are reduced currents in the ferro- and anti-ferromagnetic regimes compared to the paramagnetic and efficient current blockade in the anti-ferromagnetic regime. In contrast, while the charge current is about an order of magnitude larger in the ferromagnetic regime, compared to the anti-ferromagnetic, the thermal current is efficiently blockaded there as well. This disparate behavior of the thermal current is attributed to current resonances in the ferromagnetic regime which counteract the thermal flow. The temperature difference strongly reduces the exchange interaction and tends to destroy the magnetic control of the transport properties. The weakened exchange interaction opens up a possibility to tune the system into thermal rectification, for both the charge and thermal currents., Comment: 12 pages, 10 figures

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

Molecular spintronics is made possible by the coupling between electronic configuration and magnetic po- larization of the molecules. For control and application of the individual molecular states it is necessary to both read and write their spin states. Conventionally, this is achieved by means of external magnetic fields or ferromagnetic contacts, which may change the intentional spin state and may present additional challenges when downsizing devices. Here, we predict that coupling magnetic molecules together opens up possibilities for all electrical control of both the molecular spin states as well as the current flow through the system. Tuning between the regimes of ferromagnetic and anti-ferromagnetic exchange interaction, the current can be, at least, an order of magnitude enhanced or reduced. The effect is susceptible to the tunnel coupling and molecular level alignment which can be used to achieve current rectification., Comment: 6 pages, 3 figures, and Supporting Information included - one page and one figure. Accepted in Nano Letters

In single-molecule magnets, the exchange between a localized spin moment and the electronic background provides a suitable laboratory for studies of dynamical aspects of both local spin and transport properties. Here we address the time evolution of a localized spin moment coupled to an electronic level in a molecular quantum dot embedded in a tunnel junction between metallic leads. The interactions between the localized spin moment and the electronic level generate an effective interaction between the spin moment at different instances in time. Therefore, we show that, despite being a single-spin system, there are effective contributions of isotropic Heisenberg, and anisotropic Ising and Dzyaloshinski-Moriya character acting on the spin moment. The interactions can be controlled by gate voltage, voltage bias, the spin polarization in the leads, in addition to external magnetic fields. Signatures of the spin dynamics are found in the transport properties of the tunneling system, and we demonstrate that measurements of the spin current may be used for read-out of the local spin moment orientation., Comment: 14 pages, 15 figures; submitted

We address electron spin resonance of single magnetic moments in a tunnel junction using time-dependent electric fields and spin-polarized current. We show that the tunneling current directly depends on the local magnetic moment and that the frequency of the external electric field mixes with the characteristic Larmor frequency of the local spin. The importance of the spin-polarized current induced anisotropy fields acting on the local spin moment is, moreover, demonstrated. Our proposed model thus explains the absence of an electron spin resonance for a half integer spin, in contrast with the strong signal observed for an integer spin., Comment: 6 pages, 2 figures, as published

A critical aspect of quantum mechanics is the nonlocal nature of the wavefunction, a characteristic that may yield unexpected coupling of nominally-isolated systems. The capacity to detect this coupling can be vital in many situations, especially those in which its strength is weak. In this work we address this problem in the context of mesoscopic physics, by implementing an electron-wave realization of a Fano interferometer using pairs of coupled quantum point contacts (QPCs). Within this scheme, the discrete level required for a Fano resonance is provided by pinching off one of the QPCs, thereby inducing the formation of a quasi-bound state at the center of its self-consistent potential barrier. Using this system, we demonstrate a form of \textit{nonequilibrium} Fano resonance (NEFR), in which nonlinear electrical biasing of the interferometer gives rise to pronounced distortions of its Fano resonance. Our experimental results are captured well by a quantitative theoretical model, which considers a system in which a standard two-path Fano interferometer is coupled to an additional, \textit{intruder}, continuum. According to this theory, the observed distortions in the Fano resonance arise \textit{only} in the presence of coupling to the intruder, indicating that the NEFR provides a sensitive means to infer the presence of weak coupling between mesoscopic systems., Comment: 13 pages, 6 figures, published version

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

The electronic structure and magnetic properties of a single Fe adatom on a CuN surface have been studied using density functional theory in the local spin density approximation (LSDA), the LSDA+U approach and the local density approximation plus dynamical mean-field theory (LDA+DMFT). The impurity problem in LDA+DMFT is solved through exact diagonalization and in the Hubbard-I approximation. The comparison of the one-particle spectral functions obtained from LSDA, LSDA+U and LDA+DMFT show the importance of dynamical correlations for the electronic structure of this system. Most importantly, we focused on the magnetic anisotropy and found that neither LSDA, nor LSDA+U can explain the measured, high values of the axial and transverse anisotropy parameters. Instead, the spin excitation energies obtained from our LDA+DMFT approach with exact diagonalization agree significantly better with experimental data. This affirms the importance of treating fluctuating magnetic moments through a realistic many-body treatment when describing this class of nano-magnetic systems. Moreover, it facilitates insight to the role of the hybridization with surrounding orbitals., Comment: 17 pages, 4 figures

We examine the low energy effective theory of phase oscillations in a two-dimensional granular superconducting sheet where the grains are arranged in honeycomb lattice structure. Using the example of graphene we present the evidence for the engineered Dirac nodes in the bosonic excitations: the spectra of the collective bosonic modes cross at the K and K points in the Brillouin zone and form Dirac nodes. We show how two different types of collective phase oscillations are obtained and that they are analogous to the Leggett and the Bogoliubov-Anderson-Gorkov modes in a two-band superconductor. We show that the Dirac node is preserved in the presence of an inter-grain interaction, despite induced changes of the qualitative features of the two collective modes. Finally, breaking the sublattice symmetry by choosing different on-site potentials for the two sublattices leads to a gap opening near the Dirac node, in analogy with Fermionic Dirac materials. Dirac node dispersion of bosonic excitations is thus expanding the discussion of the conventional Dirac cone excitations to the case of bosons. We call this case as a representative of Bosonic Dirac Materials (BDM), similar to the case of Fermionic Dirac materials extensively discussed in the literature., Comment: 11 pages, 11 figures

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

We show that the energy gap induced by ferromagnetically aligned magnetic impurities on the surface of a topological insulator can be filled, due to scattering off the non-magnetic potential of the impurities. In both a continuum surface model and a three-dimensional tight-binding lattice model, we find that the energy gap disappears already at weak potential scattering as impurity resonances add spectral weight at the Dirac point. This can help explain seemingly contradictory experimental results as to the existence of a gap., Comment: 5 pages, 4 figures. Published version

We address the tunneling conductance and spin inelastic tunneling spectroscopy of localized paramagnetic moments in a superconducting environment, pertaining to recent measurements on Fe-octaethylporphyrin-chloride using superconducting scanning tunneling microscopy. We demonstrate that the Cooper pair correlations in the tip and substrate generate a finite uniaxial anisotropy field acting on the local spin moment, and we argue that this field may be a source for the observed changes in the conductance spectrum for decreasing distance between the scanning tunneling tip and the local magnetic moment. We make a side-by-side comparison between the superconductor-superconductor junction and normal-metal--superconductor junction, and find qualitative agreement between the two setups while quantitative differences become explicit. When simulating the effects of electron pumping, we obtain additional peaks in the conductance spectrum that can be attributed to excitations between higher-energy spin states. The transverse anisotropy field couples basis states of the local spin which opens for transitions between spin states that are otherwise forbidden by conservation of angular momentum. Finally, we explore the influences of temperature, which tend to enable in-gap transitions, and an external magnetic field, which enables deeper studies of the spin excitation spectrum. We especially notice the appearance of a low and high excitation peak on each side of the main coherence peak as an imprint of transitions between the Zeeman split ground states., Comment: 14 pages, 8 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

Recent experimental conductance measurements performed on paramagnetic molecular adsorbates on a superconducting surface, using superconducting scanning tunneling microscopy techniques, are theoretically investigated. For low temperatures, we demonstrate that tunneling current assisted excitations of the local magnetic moment cannot occur for voltage biases smaller than the superconducting gap of the scanning tunneling microscope. The magnetic moment is only excited for voltages corresponding to the sum of the superconducting gap and the spin excitation energies. In excellent agreement with experiment, we show that pumping into higher excitations give additional current signatures by accumulation of density in the lower ones. Using external magnetic fields, we Zeeman split possible degeneracy and thereby resolve all excitations comprised in the magnetic moment., Comment: 6 pages, 4 figures, submitted

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

Through a combination of experiment and theory we establish the possibility of achieving strong tuning of Fano resonances (FRs), by allowing their usual two-path geometry to interfere with an additional, 'intruder', continuum. As the coupling strength to this intruder is varied, we predict strong modulations of the resonance line shape that, in principle at least, may exceed the amplitude of the original FR itself. For a proof-of-concept demonstration of this phenomenon, we construct a nanoscale interferometer from nonlocally coupled quantum point contacts and utilize the unique features of their density of states to realize the intruder. External control of the intruder coupling is enabled by means of an applied magnetic field, in the presence of which we demonstrate the predicted distortions of the FR. This general scheme for resonant control should be broadly applicable to a variety of wave-based systems, opening up the possibility of new applications in areas such as chemical and biological sensing and secure communications., Comment: 19 pages, 4 figures

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 consider the motion of and Josephson current through a mechanically oscillating superconducting island asymmetrically embedded in a Josephson junction. The electromechanical coupling is provided by distance dependent tunneling rates between the electrodes and the island. The system asymmetry, resulting from the geometrical configuration, leads, for weak coupling, to an equation of the mechanical motion that reduces to the well-known Duffing equation. At zero bias voltage the island motion is determined by the homogenous Duffing equation that opens up two separate regions of solutions depending on the superconducting phases. The island either moves under influence of an anharmonic single well potential, or is governed by a double well potential that allows for off-center oscillations. Under applied bias voltage the island equation of motion turns into a modified Duffing equation, with time dependent coefficients, that demonstrate both quasi periodic and chaotic behavior.

We consider spin dynamics for implementation in an atomistic framework and we address the feasibility of capturing processes in the femtosecond regime by inclusion of moment of inertia. In the spirit of an {\it s-d} -like interaction between the magnetization and electron spin, we derive a generalized equation of motion for the magnetization dynamics in the semi-classical limit, which is non-local in both space and time. Using this result we retain a generalized Landau-Lifshitz-Gilbert equation, also including the moment of inertia, and demonstrate how the exchange interaction, damping, and moment of inertia, all can be calculated from first principles., Comment: 5 pages, 1 figure

We consider inelastic scattering of localized magnetic moments coupled with the electrons on the surface. We argue that spin-inelastic transitions of the magnetic impurities generate oscillations at a momentum $k$, corresponding to the inelastic mode, in the second derivative of the current with respect to voltage $d^2I/dV^2$. These oscillations are similar in nature to Friedel oscillations. Inelastic Friedel oscillations, which were previously proposed for spin-unpolarized set-up, is here extended for spin-polarized systems. We propose to use scanning tunneling microscope to measure spin-inelastic scattering generated at the impurity spin by imaging the $d^2I/dV^2$ oscillations on the metal surface.

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 investigate dynamical transport aspects of a combined nanomechanical-superconducting device in which Cooper pair tunneling interfere with the mechanical motion of a vibrating molecular quantum dot embedded in a Josephson junction. Six different regimes for the tunneling dynamics are identified with respect to the electron level and the charging energy in the quantum dot. In five of those regimes new time-scales are introduced which are associated with the energies of the single electron transitions within the quantum dot, while there is one regime where the internal properties of the quantum dot are static., Comment: 7 pages, 2 figures, Phys. Rev. B

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

The recent experimental conductance measurements taken on magnetic impurities on metallic surfaces, using scanning tunneling microscopy technique and suggesting occurrence of inelastic scattering processes, are theoretically addressed. We argue that the observed conductance signatures are caused by transitions between the spin states which have opened due to e.g. exchange coupling between the local spins and the tunneling electrons, and are directly interpretable in terms of inelastic transitions energies. Feasible measurements using spin-polarized scanning tunneling microscopy that would enable new information about the excitation spectrum of the local spins are discussed., Comment: 5 pages, 1 fugure, accepted in the Nano Letters