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Chiral oligopeptide monolayers were adsorbed on a ferromagnetic surface and their magnetoresistance was measured as a function of the angle between the magnetization of the ferromagnet and the surface normal. These measurements were conducted as a function of temperature for both enantiomers. The angle dependence was found to follow the cosine square function. Quantum simulations revealed that the angular distribution could be obtained only if the monolayer has significant effective spin orbit coupling (SOC), that includes contribution from the vibrations. The model shows that SOC only in the leads cannot reproduce the observed angular dependence. The simulation can reproduce the experiments only if it included electron-phonon interactions and dissipation.

A spin Hamiltonian, which characterizes interatomic interactions between spin moments, is highly valuable in predicting and comprehending the magnetic properties of materials. A deeper understanding of the microscopic origin of magnetic interactions can open new pathways toward realizing nanometer-scale systems for future spintronic devices. Here, we explore a method for explicitly calculating interatomic exchange interactions in non-collinear configurations of magnetic materials considering only a bilinear spin Hamiltonian in a local scenario. Based on density-functional theory (DFT) calculations of dimers adsorbed on metallic surfaces, and with a focus on the Dzyaloshinskii-Moriya interaction (DMI) which is essential for stabilizing chiral non-collinear magnetic states, we discuss the interpretation of the DMI when decomposed into microscopic electron and spin densities and currents. We clarify the distinct origins of spin currents induced in the system and their connection to the DMI. In addition, we reveal how non-collinearity affects the usual DMI, which is solely induced by spin-orbit coupling, and DMI-like interactions brought about by non-collinearity. We explain how the dependence of the DMI on the magnetic configuration establishes a connection between high-order magnetic interactions, enabling the transition from a local to a global spin Hamiltonian., Comment: 11 pages, 3 figures

Quantum squeezing is an essential asset in the field of quantum science and technology. In this study, we investigate the impact of temperature and anisotropy on squeezing of quantum fluctuations in two-mode magnon states within uniaxial antiferromagnetic materials. Through our analysis, we discover that the inherent nonlinearity in these bipartite magnon systems gives rise to a conjugate magnon squeezing effect across all energy eigenbasis states, driven by temperature and anisotropy. We show that temperature induces amplitude squeezing, whereas anisotropy leads to phase squeezing. In addition, we observe that the two-mode squeezing characteristic of magnon eigenenergy states is associated with amplitude squeezing. This highlights the constructive impact of temperature and the destructive impact of anisotropy on two-mode magnon squeezing. Nonetheless, our analysis shows that the destructive effect of anisotropy is bounded. We demonstrate this by showing that, at a given temperature, the squeezing of the momentum (phase) quadrature (or equivalently, the stretching of the position (amplitude) quadrature) approaches a constant function of anisotropy after a finite value of anisotropy. Moreover, our study demonstrates that higher magnon squeeze factors can be achieved at higher temperatures, smaller levels of anisotropy, and closer to the Brillouin zone center. All these characteristics are specific to low-energy magnons in the uniaxial antiferromagnetic materials that we examine here.

Quantum shape effect appears under the size-invariant shape transformations of strongly confined structures. Such a transformation distinctively influences the thermodynamic properties of confined particles. Due to their characteristic geometry, core-shell nanostructures are good candidates for quantum shape effects to be observed. Here we investigate the thermodynamic properties of non-interacting degenerate electrons confined in core-shell nanowires consisting of an insulating core and a GaAs semiconducting shell. We derive the expressions of shape-dependent thermodynamic quantities and show the existence of a new type of quantum oscillations due to shape dependence, in chemical potential, internal energy, entropy and specific heat of confined electrons. We provide physical understanding of our results by invoking the quantum boundary layer concept and evaluating the distributions of quantized energy levels on Fermi function and in state space. Besides the density, temperature and size, the shape per se also becomes a control parameter on the Fermi energy of confined electrons, which provides a new mechanism for fine tuning the Fermi level and changing the polarity of semiconductors., Comment: 12 pages, 6 figures

Novel understanding of the recent nanomagnet tailoring experiments and the possibility to further unveil the mechanisms by which the magnetic interactions arise in an atom by atom fashion covers importance as the demand for spin qubit and quantum state detection architectures increases. Here, we address the spin states of a molecular trimer comprising three localized spin moments embedded in a metallic tunnel junction and show that the pair spin interactions can be engineered through the electronic structure of the molecular trimer. We show that bias and gate voltages induce either a completely ferromagnetic state of the localized moments or a spin frustrated state with different stabilities, and that switching between these states is possible on demand by electrical control. The role of quantum coherence in the molecular trimer is discussed with regards to the spin ordering as well as the interplay among electronic interference and induced dephasing by the metallic leads. This work sets foundations for more robust all electrically controlled spin architectures usable in quantum engineering systems and serves as a test bench for exploring unresolved questions in magnetic ordering and symmetry.

We address scatterings of spin waves off uncorrelated defects in two-dimensional (2D) easy-axis antiferromagnet (AFM) insulators. Although an onsite magnetic anisotropy leads gapped Goldstone modes, such that a long range (AFM) order can be established in 2D, lattice imperfections tend to weaken, and eventually destroy the magnetic ordering. Here, the impact of defects is considered within two limits, single and multiple defects. Using Green's function, we perform self consistent simulations to study magnon properties such as density of states and lifetime of induced resonances. Our findings show that repulsive defects decrease the magnon density of states while attractive ones may enhance it. We provide a comprehensive analysis of how defects can result in a reduction and even closing, the anisotropy induced gap, which weakens the long range (AFM) order parameter in the 2D state. We conclude that a small concentration of random defects can fill the gap of magnon spectrum.

We investigate the effect of magnon-magnon interactions on the dispersion and polarization of magnons in collinear antiferromagnetic (AF) insulators at finite temperatures. In two-sublattice AF systems with either uniaxial or biaxial magnetocrystalline anisotropies, we implement a self-consistent Hartree-Fock mean-field approximation to explore the nonlinear thermal interactions. The resulting nonlinear magnon interactions separate into two-magnon intra- and interband scattering processes. Furthermore, we compute the temperature dependence of the magnon bandgap and AF resonance modes due to nonlinear magnon interactions for square and hexagonal lattices. In addition, we study the effect of magnon interactions on the polarization of magnon modes. We find that although the noninteracting eigenmodes in the uniaxial case are circularly polarized, but in the presence of nonlinear thermal interactions the local U(1) symmetry of the Hamiltonian is broken. The attractive nonlinear interactions squeeze the low-energy magnon modes and make them elliptical. In the biaxial case, on the other hand, the bare eigenmodes of low energy magnons are elliptically polarized but thermal nonlinear interactions squeeze them further. Direct measurements of the predicted temperature-dependent AF resonance modes and their polarization can be used as a tool to probe the nonlinear interactions. Our findings establish a framework for exploring the effect of thermal magnon interactions in technologically important magnetic systems, such as magnetic stability of recently discovered two-dimensional magnetic materials, coherent transport of magnons, Bose-Einstein condensation of magnons, and magnonic topological insulators.

The theoretical explanation for the chiral-induced spin selectivity effect, in which electrons' passage through a chiral system depends on their spin and the handedness of the system, remains vague. Although most experimental work was performed at room temperature, most of the proposed theories did not include vibrations. Here, we present temperature-dependent experiments and a theoretical model that captures all observations and provides spin polarization values that are consistent with the experimental results. The model includes vibrational contribution to the spin orbit coupling. It shows the importance of dissipation and the relation between the effect and the optical activity., Comment: 16 pages, 4 figure; submitted

Thermoelectric junctions are often made of components of different materials characterized by distinct transport properties. Single material junctions, with the same type of charge carriers, have also been considered to investigate various classical and quantum effects on the thermoelectric properties of nanostructured materials. We here introduce the concept of defect-induced thermoelectric voltage, namely, {\it thermodefect voltage}, in graphene nanoribbon (GNR) junctions under a temperature gradient. Our thermodefect junction is formed by two GNRs with identical properties except the existence of defects in one of the nanoribbons. At room temperature the thermodefect voltage is highly sensitive to the types of defects, their locations, as well as the width and edge configurations of the GNRs. We demonstrate that the thermodefect voltage can be as high as $1.7\,$mV/K for $555$-$777$ defects in semiconducting armchair GNRs. We further investigate the Seebeck coefficient, electrical conductance, and electronic thermal conductance, and also the power factor of the individual junction components to explain the thermodefect effect. Taken together, our study presents a new pathway to enhance the thermoelectric properties of nanomaterials., Comment: 11 pages, 6 figures

The monolayer halides CrX$_3$ (X=Cl, Br, I) attract significant attention for realizing 2D magnets with genuine long-range order (LRO), challenging the Mermin-Wagner theorem. Here, we show that monolayer CrCl$_3$ has the unique benefit of exhibiting tunable magnetic anisotropy upon applying a compressive strain. This opens the possibility to use CrCl$_3$ for producing and studying both ferromagnetic and antiferromagnetic 2D Ising-type LRO as well as the Berezinskii-Kosterlitz-Thouless (BKT) regime of 2D magnetism with quasi-LRO. Using state-of-the-art density functional theory, we explain how realistic compressive strain could be used to tune the monolayer's magnetic properties so that it could exhibit any of these phases. Building on large-scale quantum Monte Carlo simulations, we compute the phase diagram of strained CrCl$_3$, as well as the magnon spectrum with spin-wave theory. Our results highlight the eminent suitability of monolayer CrCl$_3$ to achieve very high BKT transition temperatures, around 50 K, due to their singular dependence on the weak easy-plane anisotropy of the material., Comment: 6 pages (4 figures) + 4 pages (6 figures)

We theoretically investigate the exchange interaction between magnetic impurities in ultrathin Bi$_2$Se$_3$ topological insulator films by taking into account the low-energy states produced by the impurities. We find that the locally induced impurity resonances strongly influence the exchange interaction between magnetic moments. In particular, we find a non-collinear alignment being more favorable than the collinear ferromagnetic alignment preferred when impurity states are ignored and only the pristine topological insulator band structure is considered. Moreover, we show that by applying of an electric field perpendicular to the ultrathin film, the exchange interaction can be drastically enhanced. This opens for the possibility of highly tunable magnetism by electric field.

In contrast to conventional assumptions, we show that the Dzyaloshinskii-Moriya interaction can be of non-relativistic origin, in particular in materials with a non-collinear magnetic configuration, where non-relativistic contributions can dominate over spin-orbit effects. The weak antiferromagnetic phase of Mn$_{3}$Sn is used to illustrate these findings. Using electronic structure theory as a conceptual platform, all relevant exchange interactions are derived for a general, non-collinear magnetic state. It is demonstrated that non-collinearity influences all three types of exchange interaction and that physically distinct mechanisms, which connect to electron- and spin-density and currents, may be used as a general way to analyze and understand magnetic interactions of the solid state.

We use the numerical renormalization group theory to investigate the Yu-Shiba-Rusinov (YSR) bound state properties of single magnetic molecules placed in an s-wave superconducting substrate. The molecule consist of a large core spin and a single orbital, coupled via an exchange interaction. The critical Coulomb interaction for the singlet/doublet transition decreases in the presence of this exchange interaction for both ferro and anti-ferromagnetic couplings. The number of YSR states also increase to two pairs, however, in the singlet phase, one of the pairs have zero spectral weight. We explore the evolution of the in-gap states using the Anderson model. Away from the particle-hole symmetry point, the results suggest a doublet-singlet-doublet transition as the on-site energy is lowered while keeping the Coulomb interaction fixed. To understand these results, we write down an effective model for the molecule in the limit of large superconducting order parameter. Qualitatively, it explains the various phase transitions and spectral nature of the in-gap states. Finally, we analyze the effects of magnetic anisotropic fields of the core spin on in-gap states. Due to internal degrees of freedom of the spin excited states, a multitude of new states emerges within the gap. Depending on the sign and strength of the uniaxial anisotropic field, the results indicate up to three pairs of YSR states.

The experimental realization of a coupled spin pair has been reported by Heiko Webber et.al and its theoretical description has been previously discussed including the condition that local magnetization of the junction is required for the individual moments to affect the electrons in the molecular ligand through the Kondo interaction. Here in this work, we show that when the couple spin pair is placed in an interferometry set up of the Aharonov-Bohm type additional features related to the switching behavior of the coupled spin pair emerge. This features lead to a phase dependent exchange magnetic field coming from the ferromagnets in proximity with the molecule, a phase dependent commutation of the singlet/triplet ground state around zero bias and it leads to variations in the voltage dependent effective exchange profile between the spin pair. These predictions contribute to the acceptance of the hypothesis that spin polarization can be harvested from quantum coherence in molecular quantum mechanics

We propose a mechanism for nanoscale energy conversion, an electric voltage induced by a temperature gradient in a junction composed of the same material having exactly the same geometric sizes, but distinct shapes. The proposed effect appears as a result of only temperature and shape difference, hence it is called thermoshape effect. For GaAs quantum confined semiconductor nanostructures, we first introduce the existence of quantum shape effects on thermoelectric transport coefficients at ballistic regime. We show that the shape alone enters as a control parameter on transport properties of confined nanostructures. The thermoshape voltage is then calculated by using the Landauer formalism. Our calculations show that the thermoshape voltage has a constant value in the order of mV/K for the variation of chemical potential in non-degenerate regime and it decreases rapidly after entering weakly degenerate regime where it oscillates around zero within plus/minus 10$\mu$V/K magnitude. A persistent voltage range may pave the way for easier experimental demonstration of the effect. Our work explicitly shows how important the effect of overall geometry is in nanoscale thermoelectric materials, and can be utilized even if all sizes are the same. A thermoshape junction not only represents a viable setup for the macroscopic manifestation of quantum shape effects, but also constitutes their first possible device application., Comment: 6 pages, 4 figures

Magnetic impurities on the surface of spin-orbit coupled but otherwise conventional superconductors provide a promising way to engineer topological superconductors with Majorana bound states as for boundary modes. In this work, we show that the spin-polarization in the interior of both one-dimensional impurity chains and two-dimensional islands can be used to determine the topological phase, as it changes sign exactly at the topological phase transition. This offers an independent probe of the topological phase, beyond the zero-energy Majorana bound states appearing at the boundaries of the topological region., Comment: 9 pages, 13 figures

A thermoelectric voltage is induced in a junction, constituted of two dissimilar materials under a temperature gradient. Similarly, a thermosize voltage is expected to be induced in a junction made by the same material but having different sizes, so-called thermosize junction. This is a consequence of dissimilarity in Seebeck coefficients due to differences in classical and/or quantum size effects in the same materials with different sizes. The studies on thermosize effects in literature are mainly based on semi-classical models under relaxation time approximation or even simpler local equilibrium ones where only very general ideas and results have been discussed without considering quantum transport approaches and specific materials. To make more realistic predictions for a possible experimental verification, here, we consider ballistic thermosize junctions made by narrow and wide ($n$-$w$) pristine graphene nanoribbons with perfect armchair edges and calculate the electronic contribution to the thermosize voltage, at room temperature, by using the Landauer formalism. The results show that the maximum thermosize voltage can be achieved for semiconducting nanoribbons and it is about an order of magnitude larger than that of metallic nanoribbons. In the semiconducting case, the thermosize voltage forms a characteristic plateau for a finite range of gating conditions. We demonstrate, through numerical calculations, that the induced thermosize voltage per temperature difference can be in the scale of mV/K, which is high enough for experimental measurements. Owing to their high and persistent thermosize voltage values, graphene nanoribbons are expected to be good candidate for device applications of thermosize effects., Comment: 5 pages, 4 figures

We consider periodically driven potential impurities coupled to the surface states of a two-dimensional topological insulator. The problem is addressed by means of two models, out which the first model is an effective continuum Hamiltonian for the surface states, whereas the Kane-Mele lattice model is our second approach. While both models result in drastic changes in the local density of electron states with increasing amplitude and frequency of the driving field, the linearly low energy local density of electron states remains in the continuum model, however, with an increased Fermi velocity. The spectrum of the continuum model remains gapless under the emergence of new impurity resonances near the Fermi energy. The Kane-Mele lattice model represents a finite size system, with edge states appearing at the boundary of the system. We, thus, consider the impurity at two different positions, one at the boundary and one at the center of the lattice. In the former case, a reduction and broadening of the low energy local density of electron states result with increasing amplitude of the driving field. On the other hand, there are no new resonances emerging in the spectrum. In the latter case, the spectrum is gapped both in the absence of the impurity as well as for weak amplitudes of the driving field, while the gap tends to fill up with impurity states with increasing amplitude.

We investigate transient spin-dependent thermoelectric signatures in a single-molecule magnet under the effect of a time-dependent voltage pulse. We model the system using nonequilibrium Green's functions and a generalized spin equation of motion incorporating the dynamic electronic structure of the molecule. We show that the generated heat current in the system is due to both charge and spin contributions, related to the Peltier and the spin-dependent Peltier effect. There is also a clear signature in the heat current due to the spin dynamics of the single-molecule and a possibility to control the spin-dependent heat currents by bias, tunneling coupling and exchange interaction. A reversal of the net heat transfer in the molecule is found for increasing bias voltage due to the local Zeeman split and we can correlate the net heat transfer with the local anisotropies and dynamic exchange fields in the system., Comment: 9 pages, 6 figures

The dynamics of a localized molecular spin under the influence of external voltage pulses is addressed using a generalized spin equation of motion. The approach incorporates anisotropic fields, non-equilibrium conditions, and non-adiabatic dynamics. By application of a voltage pulse of temporal length $\tau$, a recurring $4\pi$-periodic switching of the localized spin is observed. The switching phenomena can be explained by dynamical exchange interactions, internal transient fields, and self-interactions acting on the localized spin moment., Comment: 7 pages, 4 figures

We theoretically study the effect of impurity resonances on the indirect exchange interaction between magnetic impurities in the surface states of a three-dimensional topological insulator. The interaction is composed of an isotropic Heisenberg, and anisotropic Ising and Dzyaloshinskii-Moriya contributions. We find that all three contributions are finite at the Dirac point, which is in stark contrast to the linear response theory which predicts a vanishing Dzyaloshinskii-Moriya contribution. We show that the spin-independent component of the impurity scattering can generate large values of the DM term in comparison with the Heisenberg and Ising terms, while these latter contributions drastically reduce in magnitude and undergo sign changes. As a result, both collinear and non-collinear configurations are allowed magnetic configurations of the impurities.

We study irreversible processes for nonlinear oscillators networks described by complex-valued Langevin equations that account for coupling to different thermo-chemical baths. Dissipation is introduced via non-Hermitian terms in the Hamiltonian of the model. We apply the stochastic thermodynamics formalism to compute explicit expressions for the entropy production rates. We discuss in particular the non-equilibrium steady states of the network characterised by a constant production rate of entropy and flows of energy and particle currents. For two specific examples, a one-dimensional chain and a dimer, numerical calculations are presented. The role of asymmetric coupling among the oscillators on the entropy production is illustrated.

We present a simple and fast method to simulate spin-torque driven magnetisation dynamics in nano-pillar spin-valve structures. The approach is based on the coupling between a spin transport code based on random matrix theory and a micromagnetics finite-elements software. In this way the spatial dependence of both spin transport and magnetisation dynamics is properly taken into account. Our results are compared with experiments. The excitation of the spin-wave modes, in- cluding the threshold current for steady state magnetisation precession and the nonlinear frequency shift of the modes are reproduced correctly. The giant magneto resistance effect and the magnetisa- tion switching also agree with experiment. The similarities with recently described spin-caloritronics devices are also discussed., Comment: 13 pages 11 figures

We address the electronic structure of the surface states of topological insulator thin films with embedded local non-magnetic and magnetic impurities. Using the $T$-matrix expansion of the real space Green's function, we derive the local density of electrons states and corresponding spin resolved densities. We show that the effects of the impurities can be tuned by applying an electric field between the surface layers. The emerging magnetic states are expected to play an important role both in ferromagnetic mechanism of magnetic topological insulators as well as in its transport properties. In the case of magnetic impurities, we have categorized the possible cases for different spin-directions of the impurities as well as the spin-direction in which the spin resolved density of electron states is calculated and related this to the spin susceptibility of the system.

We explore the limitations and validity of semi-classically formulated spin equations of motion. Using a single-molecule magnet as a test model, we employ three qualitatively different approximation schemes. From a microscopic model, we derive a generalized spin equation of motion in which the parameters have a non-local time-dependence. This dynamical equation is simplified to the Landau-Lifshitz-Gilbert equation with i) time-dependent, and ii) time-independent parameters. We show that transient dynamics is essentially non-existing in the latter approximation, while the former breaks down in the regime of strong coupling between the spin and the itinerant electrons., Comment: 8 pages, 5 figures

We describe a mechanism to control energy and magnetisation currents in an artificial spin-chain, consisting of an array of Permalloy nano-disks coupled through the magneto-dipolar interaction. The chain is kept out of equilibrium by two thermal baths with different temperatures connected to its ends, which control the current propagation. Transport is enhanced by applying a uniform radio frequency pump field resonating with some of the spin-wave modes of the chain. Moreover, the two currents can be controlled independently by tuning the static field applied on the chain. Thus we describe two effective means for the independent control of coupled currents and the enhancement of thermal and spin-wave conductivity in a realistic magnonics device, suggesting that similar effects could be observed in a large class of nonlinear oscillating systems., Comment: 5 pages, 3 figures

We investigate numerically the magnetisation dynamics of an array of nano-disks interacting through the magneto-dipolar coupling. In the presence of a temperature gradient, the chain reaches a non-equilibrium steady state where energy and magnetisation currents propagate. This effect can be described as the flow of energy and particle currents in an off-equilibrium discrete nonlinear Schr\"odinger (DNLS) equation. This model makes transparent the transport properties of the system and allows for a precise definition of temperature and chemical potential for a precessing spin. The present study proposes a novel setup for the spin-Seebeck effect, and shows that its qualitative features can be captured by a general oscillator-chain model

We study the Josephson coupling of superconducting (SC) islands through the surface of single-layer (SLG) and bilayer (BLG) graphene, as a function of distance between the grains, temperature, chemical potential and external (transverse) gate-voltage. For SLG, we provide a comparison with existing literature. The proximity effect is analyzed through a Matsubara Green function approach. This represents the first step in a discussion of the conditions for the onset of a granular superconductivity within the film, made possible by Josephson currents flowing between superconductors. To ensure phase coherence over the 2D sample, a random spatial distribution can be assumed for the SC islands on the SLG sheet (or intercalating the BLG sheets). The tunable gate-voltage-induced band gap of BLG affects the asymptotic decay of the Josephson coupling-distance characteristic for each pair of SC islands in the sample, which results in the end in a qualitatively strong field-dependence of the relation between Berezinskii-Kosterlitz-Thouless transition critical temperature and gate-voltage., Comment: 11 pages, 6 figures

We investigate the far-from-equilibrium nature of magnetic anisotropy and exchange interactions between molecular magnets embedded in a tunnel junction. By mapping to an effective spin model, these magnetic interactions can be divided into three types: isotropic Heisenberg, anisotropic Ising, and anisotropic Dzyaloshinski-Moriya contributions, which are attributed to the background non-equilibrium electronic structures. We further demonstrate that both the magnetic self and exchange interactions can be controlled either electrically by gating and tuning voltage bias, or thermally by adjusting temperature bias. We show that the Heisenberg and Ising interactions scale linearly, while the Dzyaloshinski-Moriya interaction scales quadratically, with the molecule-lead coupling strength. The interactions scale linearly with the effective spin-polarizations of the leads and the molecular coherence. Our results pave a way for smart control of magnetic exchange interactions at atomic and molecular levels., Comment: five pages, four figures, submitted; published version

The spin Seebeck effect is studied across a charge insulating magnetic junction, in which thermal-spin conjugate transport is assisted by the exchange interactions between the localized spin in the center and electrons in metallic leads. We show that, in contrast with bulk spin Seebeck effect, the figure of merit of such nanoscale thermal-spin conversion can be infinite, leading to the ideal Carnot efficiency in the linear response regime. We also find that in the nonlinear spin Seebeck transport regime, the device possesses the asymmetric and negative differential spin Seebeck effects. In the last, the situations with leaking electron tunneling are also discussed. This nanoscale thermal spin rectifier, by tuning the junction parameters, can act as a spin Seebeck diode, spin Seebeck transistor and spin Seebeck switch, which could have substantial implications for flexible thermal and information control in molecular spin caloritronics., Comment: 8 pages, 5 figures; Published as Phys. Rev. B 89, 214407 (2014). See also http://journals.aps.org/prb/abstract/10.1103/PhysRevB.89.214407

It has recently been shown that domain walls in ferromagnets can be moved in the presence of thermal gradients. In this work we study the motion of narrow domain walls in low-dimensional systems when subjected to thermal gradients. The system chosen is a monolayer of Fe on W(1 1 0) which is known to exhibit a large anisotropy while having a soft exchange, resulting in a very narrow domain wall. The study is performed by means of atomistic spin dynamics simulations coupled to first-principles calculations. By subjecting the systems to a thermal gradient we observe a temperature dependent movement of the domain wall as well as changes of the spatial magnetization profile of the system. The thermal gradient always makes the domain wall move towards the hotter region of the sample with a velocity proportional to the gradient. The material specific study is complemented by model simulations to discern the interplay between the thermal gradient, magnetic anisotropy and the exchange interaction, and shows that the larger DW velocities are found for materials with low magnetic anisotropy. The relatively slow DW motion of the Fe/W(1 1 0) system is hence primarily caused by its large magnetic anisotropy., Comment: 8 pages, 13 figures

Inelastic Electron Tuneling Spectroscopy (IETS) is a powerful spectroscopy that allows one to investigate the nature of local excitations and energy transfer in the system of interest. We study IETS for Topological Insulators (TI) and investigate the role of inelastic scattering on the Dirac node states on the surface of TIs. Local inelastic scattering is shown to significantly modify the Dirac node spectrum. In the weak coupling limit, peaks and steps are induced in second derivative $d^2I/dV^2$. In the strong coupling limit, the local negative U centers are formed at impurity sites, and the Dirac cone structure is fully destroyed locally. At intermediate coupling resonance peaks emerge. We map out the evolution of the resonance peaks from weak to strong coupling, which interpolate nicely between the two limits. There is a sudden qualitative change of behavior at intermediate coupling, indicating the possible existence of a local quantum phase transition. We also find that even for a simple local phonon mode the inherent coupling of spin and orbital degrees in TI leads to the spin polarized texture in inelastic Friedel oscillations induced by local mode., Comment: 5 pages, 5 figures

We consider a model for a spin field-effect molecular transistor, where a directed pure spin current is controlled by an external electric field. Inelastic scattering effects of such molecular device are discussed within a framework of full counting statistics for a multi-level molecular system. We propose that the heating of the molecular junction can be controlled by external electric and magnetic fields. Characteristic features of the model are demonstrated by numerical calculations., Comment: 9 pages, 5 figures

Transport measurements have revealed several exotic electronic properties of graphene. The possibility to influence the electronic structure and hence control the conductivity by adsorption or doping with adatoms is crucial in view of electronics applications. Here, we show that in contrast to expectation, the conductivity of graphene increases with increasing concentration of vacancy defects, by more than one order of magnitude. We obtain a pronounced enhancement of the conductivity after insertion of defects by both quantum mechanical transport calculations as well as experimental studies of carbon nano-sheets. Our finding is attributed to the defect induced mid-gap states, which create a region exhibiting metallic behavior around the vacancy defects. The modification of the conductivity of graphene by the implementation of stable defects is crucial for the creation of electronic junctions in graphene-based electronics devices., Comment: 8 pages, 8 figures