In this paper we study in detail the effect of the rotational alignment between a hexagonal boron nitride (hBN) slab and the graphene layers in the vertical current of a a graphene-hBN-graphene device. We show how for small rotational angles, the transference of momentum by the hBN crystal lattice leads to multiple peaks in the I-V curve of the device, giving origin to multiple regions displaying negative differential conductance. We also study the effect of scattering by phonons in the vertical current an see how the opening up of inelastic tunneling events allowed by spontaneous emission of optical phonons leads to sharp peaks in the second derivative of the current.
We report experimental and computational studies of thermal transport properties in hexagonal boron nitride (hBN) encapsulated molybdenum disulfide (MoS2) structure using refined optothermal Raman techniques, and reveal very high interfacial thermal conductance between hBN and MoS2. By studying the Raman shift of hBN and MoS2 in suspended and substrate-supported thin films under varying laser power and temperature, we calibrate lateral (in-plane) thermal conductivity of hBN and MoS2 and the vertical interfacial thermal conductance in the hBN/MoS2/hBN heterostructure as well as the interfaces b…
We revisit the problem of inelastic times governing the temperature behavior of the weak localization correction and mesoscopic fluctuations in one- and two-dimensional systems. It is shown that, for dephasing by the electron electron interaction, not only are those times identical but the scaling functions are also the same.
The evolution of electron conductance in the presence of inelastic effects is studied as an atomic gold contact is formed evolving from a low-conductance regime (tunneling) to a high-conductance regime (contact). In order to characterize each regime, we perform density functional theory (DFT) calculations to study the geometric and electronic structures, together with the strength of the atomic bonds and the associated vibrational frequencies. The conductance is calculated by first evaluating the transmission of electrons through the system, and secondly by calculating the conductance change d…
We present series of first-principles calculations for both pure and hydrogen contaminated gold wire systems in order to investigate how such impurities can be detected. We show how a single H atom or a single H2 molecule in an atomic gold wire will affect forces and Au-Au atom distances under elongation. We further determine the corresponding evolution of the low-bias conductance as well as the inelastic contributions from vibrations. Our results indicate that the conductance of gold wires is only slightly reduced from the conductance quantum G0=2e^2/h by the presence of a single hydrogen imp…
In a recent experiment, Hirjibehedin {\it et al.} [Science {\bf 317}, 1199 (2007)] performed inelastic tunneling spectroscopy of a single iron atom absorbed on a nonmagnetic substrate. The observed steps in the differential conductance marked the spin excitation energies. In this Letter, we explain observed nonmonotonicities in the differential conductance by a nonequilibrium population of the atom spin states. Furthermore, we predict super-Poissonian current noise due to this nonequilibrium situation. By introducing an anisotropic relaxation channel we are also able to explain the remarkable …
We calculate the nonlinear cotunneling conductance through interacting quantum dot systems in the deep Coulomb blockade regime using a rate equation approach based on the T-matrix formalism, which shows in the concerned regions very good agreement with a generalized master equation approach. Our focus is on inelastic cotunneling in systems with weakly broken degeneracies, such as complex quantum dots or molecules. We find for these systems a characteristic gate dependence of the non-equilibrium cotunneling conductance. While on one side of a Coulomb diamond the conductance decreases after the …
We study nonlinear electronic transport symmetries in Aharonov-Bohm interferometers subjected to inelastic scattering effects and show that odd (even) conductance terms are even (odd) in the magnetic field when the junction is (left-right) spatially symmetric. This observation does not hold when an asymmetry is introduced, as we show numerically, but odd conductance terms only manifest a weak breakdown of the magnetic field symmetry. Under elastic dephasing effects, the Onsager-Casimir symmetry is maintained beyond linear response and under spatial asymmetries.
We demonstrate that a quantum spin Hall current, spontaneously generated at the edge of a two-dimensional topological insulator, acts as a source of spin-pumping for a magnetic impurity with uniaxial anisotropy. One can then manipulate the impurity spin direction by means of an electrical current without using either magnetic electrodes or an external magnetic field. Furthermore we show that the unique properties of the quantum spin Hall topological state have profound effects on the inelastic electron tunneling spectrum of the impurity. For low current densities inelastic spin-flip events do …
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 enab…
Hexagonal boron nitride (hBN) is a prototypical high-quality two-dimensional insulator and an ideal material to study tunneling phenomena, as it can be easily integrated in vertical van der Waals devices. For spintronic devices, its potential has been demonstrated both for efficient spin injection in lateral spin valves and as a barrier in magnetic tunnel junctions (MTJs). Here we reveal the effect of point defects inevitably present in mechanically exfoliated hBN on the tunnel magnetoresistance of Co-hBN-NiFe MTJs. We observe a clear enhancement of both the conductance and magnetoresistance o…
The influence of structural asymmetries (barrier height and exchange splitting), as well as inelastic scattering (magnons and phonons) on the bias dependence of the spin transfer torque in a magnetic tunnel junction is studied theoretically using the free electron model. We show that they modify the "conventional" bias dependence of the spin transfer torque, together with the bias dependence of the conductance. In particular, both structural asymmetries and bulk (inelastic) scattering add {\em antisymmetric} terms to the perpendicular torque ($\propto V$ and $\propto j_e|V|$), while the interf…
We theoretically investigate the effect of transverse magnetic anisotropy on spin-flip assisted tunneling through atomic spin chains. Using a phenomenological approach and first-order perturbation theory, we analytically calculate the inelastic tunneling current, differential conductance and atomic spin transition rates. We predict the appearance of additional steps in the differential conductance and a pronounced increase in the spin-flip transition rate which at low voltages scale quadratically with the ratio of the transverse anisotropy energy and the sum of the longitudinal anisotropy ener…
Unlike the electrical conductance that can be widely modulated within the same material even in deep nanoscale devices, tuning the thermal conductance within a single material system or nanostructure is extremely challenging and requires a large-scale device. This prohibits the realization of robust ON/OFF states in switching the flow of thermal currents. Here, we present the theory of a thermal switch based on resonant coupling of three photonic resonators, in analogy to the field-effect electronic transistor composed of a source, gate, and drain. As a material platform, we capitalize on the …
We evaluate the low-temperature conductance of a weakly interacting one-dimensional helical liquid without axial spin symmetry. The lack of that symmetry allows for inelastic backscattering of a single electron, accompanied by forward-scattering of another. This joint effect of weak interactions and potential scattering off impurities results in a temperature-dependent deviation from the quantized conductance, $δG \propto T^4$. In addition, $δG$ is sensitive to the position of the Fermi level. We determine numerically the parameters entering our generic model for the Bernevig-Hughes-Zhang Hami…
A cooled scanning probe microscope (SPM) has been used to image cyclotron orbits of electrons through high-mobility graphene in a magnetic field.1-5 In a hBN-graphene-hBN device patterned into a hall bar geometry, the magnetic field focuses a current Ii injected from one narrow contact into another narrow contact located an integer number of cyclotron diameters away, creating a voltage Vc. The degree of focusing is measured by the transresistance Rm = Vc/Ii. In SPM, the tip can either enhance or decrease conductance in the sample by deflecting electrons into or away from the second contact, re…
Computationally inexpensive approximations describing electron-phonon scattering in molecular-scale conductors are derived from the non-equilibrium Green's function method. The accuracy is demonstrated with a first principles calculation on an atomic gold wire. Quantitative agreement between the full non-equilibrium Green's function calculation and the newly derived expressions is obtained while simplifying the computational burden by several orders of magnitude. In addition, analytical models provide intuitive understanding of the conductance including non-equilibrium heating and provide a co…
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 m…
The relationship between the universal conductance fluctuation and the weak localization effect in monolayer graphene is investigated. By comparing experimental results with the predictions of the weak localization theory for graphene, we find that the ratio of the elastic intervalley scattering time to the inelastic dephasing time varies in accordance with the conductance fluctuation; this is a clear evidence connecting the universal conductance fluctuation with the weak localization effect. We also find a series of scattering lengths that are related to the phase shifts caused by magnetic fl…
Recent scanning tunneling microscope measurements on magnetic clusters reveal an anomalous conductance dip at zero bias voltage, whenever the cluster consists of an odd number of magnetic atoms [Science, {\bf 312}, 1021 (2006)]. We address the conductance anomaly within a model, and reproduce the conductance dip with the only assumption that the magnetic cluster has a conducting level near the Fermi level of the system. We show that the width of the conductance dip scales quadratically with external magnetic fields, in excellent agreement with experiments. In addition, we predict that the pres…
We show that electron transport through a long multichannel wire, connected to leads by tunnel junctions, at low temperatures and voltages is dominated by inelastic cotunnelling. This mechanism results in experimentally observed power-law dependence of conductance on temperature and voltage, in the diffusive regime where usual Coulomb anomaly theory leads to exponentially low conductance. The power-law exponent is proportional to the distance between contacts.
We investigate interlayer tunneling in heterostructures consisting of two tungsten diselenide (WSe2) monolayers with controlled rotational alignment, and separated by hexagonal boron nitride. In samples where the two WSe2 monolayers are rotationally aligned we observe resonant tunneling, manifested by a large conductance and negative differential resistance in the vicinity of zero interlayer bias, which stem from energy- and momentum-conserving tunneling. Because the spin-orbit coupling leads to coupled spin-valley degrees of freedom, the twist between the two WSe2 monolayers allows us to prob…
Scanning tunneling microscopy (STM) can be used to detect inelastic spin transitions in magnetic nano-structures comprising only a handful of atoms. Here we demonstrate that STM can uniquely identify the electrostatic spin crossover effect, whereby the exchange interaction between two magnetic centers in a magnetic molecule changes sign as a function of an external electric field. The fingerprint of such effect is a large drop in the differential conductance as the bias increases. Crucially in the case of a magnetic dimer the spin crossover transition inverts the order between the ground state…
The inelastic scattering of electrons which carry current through a single-molecule junction is modeled by a quantum dot, coupled to electron reservoirs via two leads. When the electron is on the dot, it is coupled to a single harmonic oscillator of frequency $ω_0$. At zero temperature, the resonance peak in the linear-response conductance always narrows down due to the coupling with the vibrational mode. However, this narrowing down is given by the Franck-Condon factor only for narrow resonances. Contrary to some claims in the literature, the linear-response conductance does not exhibit any s…
The temperature effect of quantum interference on resistivity is examined in monolayer graphene, with experimental results showing that the amplitude of the conductance fluctuation increases as temperature decreases. We find that this behavior can be attributed to the decrease in the inelastic scattering (dephasing) rate, which enhances the weak localization (WL) correction to resistivity. Following a previous report that explained the relationship between the universal conductance fluctuation (UCF) and WL regarding the gate voltage dependence (D. Terasawa, et al., Phys. Rev. B 95 125427 (2017…
The calculation of the nonlinear conductance of a single-molecule junction is revisited. The self energy on the junction resulting from the electron-phonon interaction has at low temperatures logarithmic singularities (in the real part) and discontinuities (in the imaginary one) at the frequencies corresponding to the opening of the inelastic channels. These singularities generate discontinuities and logarithmic divergences (as a function of the bias voltage) in the low-temperature differential conductance around the inelastic thresholds. The self energy also depends on the population of the v…
Employing the Anderson impurity model, we study tunneling properties through an ideal quantum dot near the conductance minima. Considering the Coulomb blockade and the quantum confinement on an equal footing, we have obtained current contributions from various types of tunneling processes; inelastic cotunneling, elastic cotunneling, and resonant tunneling of thermally activated electrons. We have found that the inelastic cotunneling is suppressed in the quantum confinement limit, and thus the conductance near its minima is determined by the elastic cotunneling at low temperature ($k_BT \ll Γ$,…
Magnetic inelastic electron tunneling spectroscopy (IETS) shows sharp increases in conductance when a new conductance channel associated to a change in magnetic structure is open. Typically, the magnetic moment carried by an adsorbate can be changed by collision with a tunneling electron; in this process the spin of the electron can flip or not. A previous one-electron theory [Phys. Rev. Lett. {\bf 103}, 176601 (2009)] successfully explained both the conductance thresholds and the magnitude of the conductance variation. The elastic spin flip of conduction electrons by a magnetic impurity leads…
The average height of the Coulomb-blockade conductance peaks for chaotic elastic scattering is known to increase by a factor of 4/3 upon breaking time-reversal symmetry. We calculate the temperature dependence of this factor in the regime that the inelastic scattering rate Gamma_in is greater than the mean tunneling rate Gamma_el, which itself is less than the mean level spacing Delta. Comparison with recent experimental data by Folk et al. (cond-mat/0008052) demonstrates that Gamma_in lies below Gamma_el and hence also below Delta, consistent with the low-energy suppression of inelastic elect…
We consider interaction of an electron with a Bose condensate of atoms having electron affinity. Though states of the electron attached to atoms form a continuous band, tunneling through this band is strongly suppressed by quantum fluctuations of the condensate density. We adapt standard field theory methods originally developed for description of a particle propagating trough a disordered potential and present an exactly soluble analytical model of the process. In contrast with the standard description, we take into account inelastic processes associated with quantum transitions in the conden…
Measurements of resonant tunneling through a localized impurity state are used to probe fluctuations in the local density of states of heavily doped GaAs. The measured differential conductance is analyzed in terms of correlation functions with respect to voltage. A qualitative picture based on the scaling theory of Thouless is developed to relate the observed fluctuations to the statistics of single particle wavefunctions. In a quantitative theory correlation functions are calculated. By comparing the experimental and theoretical correlation functions the effective dimensionality of the emitte…
We consider wide ballistic microcontacts with electron-electron scattering in the leads and calculate electric noise and nonlinear conductance in them. Due to a restricted geometry the collisions of electrons result in a shot noise even though they conserve the total momentum of electrons. We obtain the noise and the conductivity for arbitrary relations between voltage V and temperature T. The positive inelastic correction to the Sharvin conductance is proportional to T at low voltages eV << T, and to |V| at high voltages. At low voltages the noise is defined by the Nyquist relation and at hig…
We study the effect of electron-vibron interactions on the inelastic transport properties of single-molecule nanojunctions. We use the non-equilibrium Green's functions technique and a model Hamiltonian to calculate the effects of second-order diagrams (double-exchange DX and dressed-phonon DPH diagrams) on the electron-vibration interaction and consider their effects across the full range of parameter space. The DX diagram, corresponding to a vertex correction, introduces an effective dynamical renormalization of the electron-vibron coupling in both the purely inelastic and the inelastic-reso…
Using the closed-time path integral approach, we nonperturbatively study inelastic tunneling of electrons via magnetic impurities in the barrier accompanied by phonon emission in a magnetic tunnel junction. The spectrum density of phonon emission is found to show a power-law infrared singularity $\simω^{-(1-g)}$ with $g$ the dimensionless electron-phonon coupling. As a consequence, the tunneling conductance $G(V)$ increases with bias voltage $| V|$ as $G(V)-G(0)\sim| V|^{2g}$, exhibiting a discontinuity in slope at V=0 for $g\le 0.5$. This theory can reproduce both cusp-like and non-cusp-like …
Recent experiment on the tunneling spectra of ultrasmall superconducting grains revealed an unusual structure of the lowest differential conductance peak for grains in the odd charging states. We explain this behavior by nonequilibrium ``gapless'' excitations associated with different energy levels occupied by the unpaired electron. These excitations are generated by inelastic cotunneling.
We extend the Landauer-Büttiker probe formalism for conductances to the high bias regime, and study the effects of environmentally-induced elastic and inelastic scattering on charge current in single molecule junctions, focusing on high-bias effects. The probe technique phenomenologically incorporates incoherent elastic and inelastic effects to the fully coherent case, mimicking a rich physical environment at trivial cost. We further identify environmentally-induced mechanisms which generate an asymmetry in the current, manifested as a weak diode behavior. This rectifying behavior, found in tw…
We present a scattering theory description for the inelastic current noise in the presence of electron-vibration interactions. In this description, we specify elastic and inelastic scattering contributions to the shot noise by examining charge transfers between scattering states and energy exchange between electrons and vibrations. The elastic and inelastic scattering processes are further decomposed into current correlations of electrons at the same energy and those of electrons at different energies. Focusing on the inelastic noise signals defined as steps in the voltage derivative of the sh…
The probe technique is a simple mean to incorporate elastic and inelastic processes into quantum dynamics. Using numerical simulations, we demonstrate that this tool can be employed beyond the analytically tractable linear response regime, providing a stable solution for the probe parameters: temperature and chemical potential. Adopting four probes: dephasing, voltage, temperature, and voltage-temperature, mimicking different elastic and inelastic effects, we focus on magnetic field and gate voltage symmetries of charge current and heat current in Aharonov-Bohm interferometers, potentially far…
We prepare twist-controlled resonant tunneling transistors consisting of monolayer (Gr) and Bernal bilayer (BGr) graphene electrodes separated by a thin layer of hexagonal boron nitride (hBN). The resonant conditions are achieved by closely aligning the crystallographic orientation of the graphene electrodes, which leads to momentum conservation for tunneling electrons at certain bias voltages. Under such conditions, negative differential conductance (NDC) can be achieved. Application of in-plane magnetic field leads to electrons acquiring additional momentum during the tunneling process, whic…
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 ex…
We report low-temperature transport experiments on single-wall nanotubes with metallic leads of varying contact quality, ranging from weak tunneling to almost perfect transmission. In the weak tunneling regime, where Coulomb blockade dominates, the nanotubes act as one-dimensional quantum dots. For stronger coupling to the leads the conductance can be strongly enhanced by inelastic cotunneling and the Kondo effect. For open contacts Coulomb blockade is completely suppressed, and the low-temperature conductance remains generally high, although we often see distinct dips in the conductance versu…
Here we present a theoretical analysis of the effect of inelastic electron scattering on spin-dependent transport characteristics (conductance, current-voltage dependence, magnetoresistance, shot noise spectrum, Fano factor) for magnetic nanojunction. Such device is composed of molecular quantum dot (with discrete energy levels)connected to ferromagnetic electrodes (treated within the wide-band approximation), where molecular vibrations are modeled as dispersionless phonons. Non-perturbative computational scheme, used in this work, is based on the Green's function theory within the framework o…
Using first principle approaches, we investigate the effects of isotope substitution on the inelastic features in the hydrogen molecular junction. We observe thatlocal heating and inelastic current have significant isotope-substitution effects. Due to the contact characters, the energies of excited molecular vibrationsare inverse proportional to the square root of the mass. The heavier the molecule, the smaller the onset bias. In the $H_{2}$ and $D_{2}$ junctions, the heavier molecule has a smaller magnitude of electron-vibration interaction. Consequently, there is a crossing in the local temp…
We perform self-consistent quantum transport calculations in open quantum dots taking into account the effect of electron interaction. We demonstrative that in the regime of the ultralow temperatures $2πk_BT\lesssimΔ$ ($Δ$ being the mean level spacing), the electron interaction strongly affects the conductance oscillations and their statistics leading to a drastic deviation from the corresponding predictions for noninteracting electrons. In particular, it causes smearing of conductance oscillations, which is similar to the effect of temperature or inelastic scattering. For $2πk_BT\gtrsimΔ$ the…
We analyze inelastic cotunneling through an interacting quantum dot subject to an ambient magnetic field in the weak tunneling regime under a non-adiabatic time-dependent bias-voltage. Our results clearly exhibit photon-assisted satellites and an overall suppression of differential conductance with increasing driving amplitude, which is consistent with experiments. We also predict a zero-anomaly in differential conductance under an appropriate driving frequency.
Quantum dots and single-molecule transistors may exhibit level crossings induced by tuning external parameters such as magnetic field or gate voltage. For Coulomb blockaded devices, this shows up as an inelastic cotunneling threshold in the differential conductance, which can be tuned to zero at the crossing. Here we show that, in addition, level crossings can give rise to a nearly vertical step-edge, ridge or even a Fano-like ridge-valley feature in the differential conductance inside the relevant Coulomb diamond. We study a gate-tunable quasidegeneracy between singlet and triplet ground stat…
The coherence of quantum Hall (QH) edges play the deciding factor in demonstrating an electron interferometer, which has potential to realize a topological qubit. A Graphene p-n junction (PNJ) with co-propagating spin and valley polarized QH edges is a promising platform for studying an electron interferometer. However, though a few experiments have been attempted for such PNJ via conductance measurements, the edge dynamics (coherent or incoherent) of QH edges at a PNJ, where either spin or valley symmetry or both are broken, remain unexplored. In this work, we have carried out the measurement…
By using nonequilibrium Green's functions and the equation of motion method, we formulate a self-consistent field theory for the electron transport through a single molecular junction (SMJ) coupled with a vibrational mode. We show that the nonequilibrium dynamics of the phonons in strong electron-phonon coupling regime can be taken into account appropriately in this self-consistent perturbation theory, and the self-energy of phonons is connected with the current fluctuations in the molecular junction. We calculate the finite-frequency nonsymmetrized noise spectra and the ac conductance, which …
We present a theoretical investigation for the full counting statistics of the Andreev tunneling through a quantum dot (QD) embedded between superconducting (SC) and normal leads in the presence of a strong on-site electron-phonon interaction using nonequilibrium Green function method. For this purpose, we generalize the dressed tunneling approximation (DTA) recently developed in dealing with inelastic tunneling in a normal QD system to the Andreev transport issue, which takes account of vibrational effect in evaluation of electronic tunneling self energy in comparison with other simple approa…
Recent experimental advances in scanning tunneling microscopy make the measurement of the conductance spectra of isolated and magnetically coupled atoms on nonmagnetic substrates possible. Notably these spectra are characterized by a competition between the Kondo effect and spin-flip inelastic electron tunneling. In particular they include Kondo resonances and a logarithmic enhancement of the conductance at voltages corresponding to magnetic excitations, two features that cannot be captured by second order perturbation theory in the electron-spin coupling. We have now derived a third order ana…
Controlling heat flow by phononic nanodevices has received significant attention recently because of its fundamental and practical implications. Elementary phononic devices such as thermal rectifiers, transistors, and logic gates are essentially based on two intriguing properties: heat diode effect and negative differential thermal conductance. However, little is known about these heat transfer properties across metal-dielectric interfaces, especially at nanoscale. Here we analytically resolve the microscopic mechanism of the nonequilibrium nanoscale energy transfer across metal-dielectric int…
We conducted experiments on the role of molecular hydrogen physisorbed between two metallic surfaces. Such hydrogen leads to strong signatures in inelastic electron tunneling spectroscopy exceeding the amplitude of typical inelastic transitions by an order of magnitude and is accompanied by a step in the tunneling current leading under certain circumstances to a huge negative differential conductance. We show that the molecular vibration opens an inelastic channel as expected but simultaneously stalls the total elastic channel due to the forces exerted by the vibrating molecule on the electrod…
We present a theoretical analysis of several aspects of nonequilibirum cotunneling through a strong Coulomb-blockaded quantum dot (QD) subject to a finite magnetic field in the weak coupling limit. We carry this out by developing a generic quantum Heisenberg-Langevin equation approach leading to a set of Bloch dynamical equations which describe the nonequilibrium cotunneling in a convenient and compact way. These equations describe the time evolution of the spin variables of the QD explicitly in terms of the response and correlation functions of the free reservoir variables. This scheme not on…
Here we present theoretical studies of the effect of vibronic coupling on nonlinear transport characteristics (current-voltage and conductance-voltage) in molecular electronic devices. Considered device is composed of molecular quantum dot (with discrete energy levels) weakly connected to metallic electrodes (treated within the wide-band approximation), where molecular vibrations are modeled as dispersionless phonon excitations. Nonperturbative computational scheme, used in this work, is based on the Green's function theory within the framework of mapping technique (GFT-MT) which transforms th…
We present a theoretical study of the spin transport properties of mono-atomic magnetic chains with a focus on the spectroscopical features of the I-V curve associated to spin-flip processes. Our calculations are based on the s-d model for magnetism with the electron transport treated at the level of the non-equilibrium Green's function formalism. Inelastic spin-flip scattering processes are introduced perturbatively via the first Born approximation and an expression for the associated self-energy is derived. The computational method is then applied to describe the I-V characteristics and its …
We present first-principles calculations of the dI/dV characteristics of an H2 molecule sandwiched between Au and Pt electrodes in the presence of electron-phonon interactions. The conductance is found to decrease by a few percentage at threshold voltages corresponding to the excitation energy of longitudinal vibrations of the H2 molecule. In the case of Pt electrodes, the transverse vibrations can mediate transport through otherwise non-transmitting Pt $d$-channels leading to an increase in the differential conductance even though the hydrogen junction is characterized predominately by a sing…
