Transport through a point contact is accurately modelled by assigning to the junction an ensemble of independent transport channels with possibly different transmissions. We here argue that for a series of two contacts, coherently coupled across an island, the transport channels are different from the ensembles that would describe each contact taken as stand-alone device. We further show that instead of two sets of channels with manifold cross-links over the island the double junction can be described by pairs of channels from both sides coherently coupled together, where each pair, however, has no coherent connection to the others. This finding will substantially simplify modelling transport by a Green's functions technique. Additional channels through only one junction may complete the picture. Finally we discuss how partial coherence across the island with an appropriate ansatz can be modelled in the same scheme.
The description of optical properties of subnanometer junctions is particularly challenging. Purely classical approaches fail, because the quantum nature of electrons needs to be considered. Here we report on a novel classical fully atomistic approach, ωFQ, based on the Drude model for conduction in metals, classical electrostatics and quantum tunneling. We show that ωFQ is able to reproduce the plasmonic behavior of complex metal subnanometer junctions with quantitative fidelity to full ab initio calculations. Besides the practical potentialities of our approach for large scale nanoplasmonic …
We study the low-energy electronic properties of a junction made of two crossed metallic carbon nanotubes of general chiralities. We derive a tight binding tunneling matrix element that couples low-energy states on the two tubes, which allows us to calculate the contact conductance of the junction. We find that the intrinsic asymmetries of the junction cause the forward and backward hopping probabilities from one tube to another to be different. This defines a zero-field Hall conductance for the junction, which we find to scale inversely with the junction contact conductance. Through a systema…
We have measured the current-voltage characteristics of small-capacitance single Josephson junctions at low temperatures (T < 0.04 K), where the strength of the coupling between the single junction and the electromagnetic environment was controlled with one-dimensional arrays of dc SQUIDs. We have clearly observed Coulomb blockade of Cooper-pair tunneling and even a region of negative differential resistance, when the zero-bias resistance of the SQUID arrays is much higher than the quantum resistance h/e^2 = 26 kohm. The negative differential resistance is evidence of coherent single-Cooper-pa…
The electrical conductance of molecular junctions may strongly depend on the temperature, and weakly on molecular length, under two distinct mechanisms: phase-coherent resonant conduction, with charges proceeding via delocalized molecular orbitals, and incoherent thermally-assisted multi-step hopping. While in the case of coherent conduction the temperature dependence arises from the broadening of the Fermi distribution in the metal electrodes, in the latter case it corresponds to electron-vibration interaction effects on the junction. With the objective to distill the thermally-activated hopp…
Hybrid InSb nanowire-superconductor devices are promising for investigating Majorana modes and topological quantum computation in solid-state devices. An experimental realisation of ballistic, phase-coherent superconductor-nanowire hybrid devices is a necessary step towards engineering topological superconducting electronics. Here, we report on a low-temperature transport study of Josephson junction devices fabricated from InSb nanowires grown by molecular-beam epitaxy and provide a clear evidence for phase-coherent, ballistic charge transport through the nanowires in the junctions. We demonst…
We propose a new approach to coherent control of transport via molecular junctions, which bypasses several of the hurdles to experimental realization of optically manipulated nanoelectronics noted in the previous literature. The method is based on the ap-plication of intrinsic semiconductor contacts and optical frequencies below the semiconductor bandgap. It relies on a simple and general concept, namely the controllable photonic replication of molecular levels through the dipole driving the molecular bridge by an electromagnetic field. We predict the effect of coherent destruction of induced …
We provide conclusive experimental evidence that zero bias anomaly in the differential resistance of magnetic tunnel junctions (MTJs) is due to electron-electron interaction (EEI), clarifying a long standing issue. Magnon effect that caused confusion is now excluded by measuring at low temperatures down to 0.2 K and with reduced AC measurement voltages down to 0.06 mV. The normalized change of conductance is proportional to $\ln{(eV/k_{B}T)}$, consistent with the Altshuler-Aronov theory of tunneling that describes the reduction of density of states due to EEI, but inconsistent with magnetic im…
The electron tunneling through a molecular junction modeled by a single site weakly coupled to two leads is studied in the presence of a time-dependent external field using a master equation approach. In the case of small bias voltages and high carrier frequencies of the external field, we observe the phenomenon of coherent destruction of tunneling, i.e. the current through the molecular junction vanishes completely for certain parameters of the external field. In previous studies the tunneling within isolated and open multi-site systems was suppressed; it is shown here that the tunneling betw…
Coherent electronic transport in single-molecule junctions is investigated in the Coulomb blockade regime. Both the transmission phase and probability are calculated for junctions with various contact symmetries. A dramatic suppression of the Coulomb blockade peaks is predicted for junctions where multiple atomic orbitals of the molecule couple to a single electrode although the charging steps are unaffected.
A superconductor/normal metal/superconductor Josephson junction is a coherent electron system where the thermodynamic entropy depends on temperature and phase difference across the weak-link. Here, exploiting the phase-temperature thermodynamic diagram of a thermally isolated system, we argue that a cooling effect can be achieved when the phase drop across the junction is brought from 0 to $π$ in a iso-entropic process. We show that iso-entropic cooling can be enhanced with proper choice of geometrical and electrical parameters of the junction, i.e. by increasing the ratio between supercurrent…
We experimentally study magnetization dynamics in magnetic tunnel junctions driven by femtosecond-laser-induced surface acoustic waves. The acoustic pulses induce a magnetization precession in the free layer of the magnetic tunnel junction through magnetoelastic coupling. The frequency and amplitude of the precession shows a pronounced dependence on the applied magnetic field and the laser excitation position. Comparing the acoustic-wave-induced precession frequencies with precession induced by charge currents and with micromagnetic simulations we identify spatially non-uniform magnetization m…
We describe the coherent interaction between a defect spin at the interface of a ferromagnet and a non-magnetic material, under bias and when the magnetization of the ferromagnetic contact precesses during ferromagnetic resonance. The magnet filters charge carriers by preferentially allowing in parallel spins, which leads to a dynamic spin accumulation on the defect. Local effective fields acting on the defect spin site modify the defect spin's precession, which also modifies the charge current through the defect. This new form of current-detected spin resonance reveals the local environment o…
We consider a chain of Josephson-junction rhombi (proposed originally by Doucot and Vidal) in quantum regime. In a regular chain with no disorder in the maximally frustrated case when magnetic flux through each rhombi Φ_r is equal to one half of superconductive flux quantum Φ_0, Josephson current is due to correlated transport of pairs of Cooper pairs, i.e. charge is quantized in units of $4e$. Sufficiently strong deviation δΦ=|Φ_r-Φ_0/2| > δΦ^c from the maximally frustrated point brings the system back to usual $2e$-quantized supercurrent. For a regular chain δΦ^c was calculated by us previou…
The general solution for ballistic electronic transport through double-barrier Josephson junctions is derived. We show the existence of a regime of phase-coherent transport in which the supercurrent is proportional to the single barrier transparency and the way in which this coherence is destroyed for increasing interlayer thickness. The quasiparticle dc current at arbitrary voltage is determined.
We theoretically investigate heat transport in temperature-biased Josephson tunnel junctions in the presence of an in-plane magnetic field. In full analogy with the Josephson critical current, the phase-dependent component of the heat flux through the junction displays coherent diffraction. Thermal transport is analyzed in three prototypical junction geometries highlighting their main differences. Notably, minimization of the Josephson coupling energy requires the quantum phase difference across the junction to undergo π-slips in suitable intervals of magnetic flux. An experimental setup suite…
Structural disorder is present in almost all experimental measurements of electronic transport through single molecules or molecular wires. To assess its influence on the conductance is computationally demanding, because a large number of conformations must be considered. Here we analyze an approximate recursive layer Green function approach for the ballistic transport through quasi one-dimensional nano-junctions. We find a rapid convergence of the method with its control parameter, the layer thickness, and good agreement with existing experimental and theoretical data. Because the computation…
We present an experimental and theoretical investigation of coherent current transport in wide ballistic superconductor-two dimensional electron gas-superconductor junctions. It is found experimentally that upon increasing the junction length, the subharmonic gap structure in the current-voltage characteristics is shifted to lower voltages, and the excess current at voltages much larger than the superconducting gap decreases. Applying a theory of coherent multiple Andreev reflection, we show that these observations can be explained in terms of transport through Andreev resonances.
We performed low temperature shot noise measurements in Superconductor (TiN) - strongly disordered normal metal (heavily doped Si) weakly transparent junctions. We show that the conductance has a maximum due to coherent multiple reflections at low energy and that shot noise is then twice the Poisson noise (S=4eI). The shot noise changes to the normal value (S=2eI) due to a large quasiparticle contribution.
We provide a brief and comprehensive overview over recent developments in the field of phase-coherent caloritronics in ordinary and topological Josephson junctions. We start from the simple case of a short, one-dimensional superconductor-normal metal-superconductor (S-N-S) Josephson junction and derive the phase-dependent thermal conductance within the Bogoliubov-de Gennes formalism. Then, we review the key experimental breakthroughs that have triggered the recent growing interest into phase-coherent heat transport. They include the realization of thermal interferometers, diffractors, modulato…
We performed a series of theoretical transport studies on Y-branch electron waveguides which are embedded in mid-size armchair graphene nanoribbons (AGNRs). Non-equilibrium Greens function (NEGF) with different approximations of tight-binding (TB) Hamiltonian has been employed. Using the first nearest hopping approximation, we observed very pronounced conductance quantization, the structure of which depends on geometrical design and shows a spacing of $4e^2/h$, indicating the existence of valley degree of freedom. Moreover, by incorporating the third nearest approximation, we observed seminal …
We discuss heat transport in thermally-biased long Josephson tunnel junctions in the presence of an in-plane magnetic field. In full analogy with the Josephson critical current, the phase-dependent component of the heat current through the junction displays coherent diffraction. Thermal transport is analyzed as a function of both the length and the damping of the junction, highlighting deviations from the standard Fraunhofer pattern characteristic of short junctions. The heat current diffraction patterns show features strongly related to the formation and penetration of Josephson vortices, i.e…
Coherent quantum transport in ferromagnetic/ semiconductor/ ferromagnetic junctions is studied theoretically within the Landauer framework of ballistic transport. We show that quantum coherence can have unexpected implications for spin injection and that some intuitive spintronic concepts which are founded in semi-classical physics no longer apply: A quantum spin-valve (QSV) effect occurs even in the absence of a net spin polarized current flowing through the device, unlike in the classical regime. The converse effect also arises, i.e. a zero spin-valve signal for a non-vanishing spin-current.…
A theory is offered for the ballistic 4-terminal Josephson junction. The studied system consists of a mesoscopic two-dimensional normal rectangular layer which is attached in each side to the bulk superconducting banks (terminals). The relation between the currents through the different terminals, which is valid for arbitrary temperatures and junction sizes, is obtained. The nonlocal coupling of the supercurrents leads to a new effect, specific for the mesoscopic weak link between two superconducting rings; an applied magnetic flux through one of the rings produces a magnetic flux in the other…
We have studied the current voltage characteristics of diffusive mesoscopic Nb-Cu-Nb Josephson junctions with highly-transparent Nb-Cu interfaces. We consider the low-voltage and high-temperature regime eV<ε_{c}<k_{B}T where epsilon_{c} is the Thouless energy. The observed excess current as well as the observed sub-harmonic Shapiro steps under microwave irradiation suggest the occurrence of low-energy coherent Multiple Andreev Reflection (MAR).
For defining the conductance of single molecule junctions with a redox functionality in an electrochemical cell, two conceptually different electron transport mechanisms, namely coherent tunnelling and vibrationally induced hopping compete with each other, where implicit parameters of the setup such as the length of the molecule and the applied gate voltage decide which mechanism is the dominant one. Although coherent tunnelling is most efficiently described within Landauer theory, while the common theoretical treatment of electron hopping is based on Marcus theory, both theories are adequate …
Tunneling hetero-junctions (THJs) usually induce confined states at the regions close to the tunnel junction which significantly affect their transport properties. Accurate numerical modeling of such effects requires combining the non-equilibrium coherent quantum transport through tunnel junction, as well as the quasi-equilibrium statistics arising from the strong scattering in the induced quantum wells. In this work, a novel atomistic model is proposed to include both effects: the strong scattering in the regions around THJ and the coherent tunneling. The new model matches reasonably well wit…
We measured the shot noise in fully epitaxial Fe/MgAl2OX/Fe-based magnetic tunneling junctions (MTJs). While the Fano factor to characterize the shot noise is very close to unity in the antiparallel configuration, it is reduced to 0.98 in the parallel configuration. This observation shows the sub-Poissonian process of electron tunneling in the parallel configuration, indicating the coherent tunneling through the spinel-based tunneling barrier of the MTJ.
We carry out experiments on single-molecule junctions at low temperatures, using the mechanically controlled break junction technique. Analyzing the results received with more than ten different molecules the nature of the first peak in the differential conductance spectra is elucidated. We observe an electronic transition with a vibronic fine structure, which is most frequently smeared out and forms a broad peak. In the usual parameter range we find strong indications that additionally fluctuations become active even at low temperatures. We conclude that the electrical field feeds instabiliti…
We study coherent quantum phase-slips which lift the ground state degeneracy in a Josephson junction ring, pierced by a magnetic flux of the magnitude equal to half of a flux quantum. The quantum phase-slip amplitude is sensitive to the normal mode structure of superconducting phase oscillations in the ring (Mooij-Schön modes). These, in turn, are affected by spatial inhomogeneities in the ring. We analyze the case of weak periodic modulations of the system parameters and calculate the corresponding modification of the quantum phase-slip amplitude.
We theoretically propose a phase-coherent thermal circulator based on ballistic multiterminal Josephson junctions. The breaking of time-reversal symmetry by either a magnetic flux or a superconducting phase bias allows heat to flow preferentially in one direction from one terminal to the next while heat flow in the opposite direction is suppressed. We find that our device can achieve a high circulation efficiency over a wide range of parameters and that its performance is robust with respect to the presence of disorder. We provide estimates for the expected heat currents for realistic samples.
We study coherent multiple Andreev reflections in quantum SNS junctions of finite length and arbitrary transparency. The presence of superconducting bound states in these junctions gives rise to great enhancement of the subgap current. The effect is most pronounced in low-transparency junctions, $D\ll1$, and in the interval of applied voltage $Δ/2<eV<Δ$, where the amplitude of the current structures is proportional to the first power of the junction transparency $D$. The resonant current structures consist of steps and oscillations of the two-particle current and also of multiparticle resonanc…
In this paper, we consider a system consisting of two capacitively coupled superconducting islands via Josephson junctions. We show that it can be reduced to two coupling harmonic oscillators under certain conditions, and solved exactly in terms of a displacing transformation, a beam-splitter-like transformation, and a squeezing transformation. It is found that the system evolves by a rotated-squeezed-coherent state when the system is initially in a coherent state. Quantum dynamics of the Cooper pairs in the two superconducting islands is investigated. It is shown that the number of the Cooper…
The possibility of using single molecule junctions as electron pumps for energy conversion and storage is considered. It is argued that the small dimensions of these systems enable to make use of unique intra-molecular quantum coherences in order to pump electrons between two leads and to overcome relaxation processes which tend to suppress the pumping efficiency. In particular, we demonstrate that a selective transient excitation of one chromophore in a bi-chromophoric donor-bridge-acceptor molecular junction model yields currents which transfer charge (electron and holes) unevenly to the two…
A new spintronic theory has been developed for the magnetic tunnel junction (MTJ) with single-crystal barrier. The barrier will be treated as a diffraction grating with intralayer periodicity, the diffracted waves of tunneling electrons thus contain strong coherence, both in charge and especially in spin. The theory can answer the two basic problems present in MgO-based MTJs: (1) Why does the tunneling magnetoresistance (TMR) oscillate with the barrier thickness? (2) Why is the TMR still far away from infinity when the two electrodes are both half-metallic? Other principal features of TMR can …
We simulate the spin torque-induced reversal of the magnetization in thin disks with perpendicular anisotropy at zero temperature. Disks typically smaller than 20 nm in diameter exhibit coherent reversal. A domain wall is involved in larger disks. We derive the critical diameter of this transition. Using a proper definition of the critical voltage, a macrospin model can account perfectly for the reversal dynamics when the reversal is coherent. The same critical voltage appears to match with the micromagnetics switching voltage regardless of the switching path.
For adjusting the charging state of a molecular metal complex in the context of a density functional theory description of coherent electron transport through single molecule junctions, we correct for self interaction effects by fixing the charge on a counterion, which in our calculations mimics the effect of the gate in an electrochemical STM setup, with two competing methods, namely the generalized $Δ$ SCF technique and screening with solvation shells. One would expect a transmission peak to be pinned at the Fermi energy for a nominal charge of +1 on the molecule in the junction but we find …
We investigate the proximity effect in junctions between $N=3$ superconductors under commensurate voltage bias. The bias is chosen to highlight the role of transport processes that exchange multiple Cooper pairs coherently between more than two superconductors. Such non-local processes can be studied in the dc response, where local transport processes do not contribute. We focus on the proximity-induced normal density of states that we investigate in a wide parameter space. We reveal the presence of deep and highly tunable pseudogaps and other rich structures. These are due to a static proximi…
The transport properties of Chern insulator junctions generated by bipolar junctions in quantum Hall graphene are theoretically studied in the coherent regime. Coherent transport across the junction exhibits two mesoscopic features: valley-isospin dependence of the quantum Hall conductance, and the Aharonov-Bohm (AB) effects with the interface channels. We demonstrate that the valley-isospin dependence can be measured in a graphene sample with perfect edge terminations, resulting in conductance oscillation for the smallest Chern number case. On the other hand, while conductance plateaus are fo…
In this paper we address some of the properties of quantum Hall line junctions (QHLJ) that occur near barriers separating electron gases on quantum Hall plateaus.In narrow barriers where electron tunneling can occur, the low energy physics of the QHLJ is described by the quantum sine-Gordon model. We propose procedures to study a sort of properties of these systems in relation with recent experimental studies of Kang {\it et al.}, Nature {\bf 403}, 59 (2000). We propose experimental ways of measuring the values of the dimensionless coupling constant characteristic for the Sine-Gordon model as …
We present the results of a series of Quantum Monte Carlo calculations of the temperature dependent conductance of dissipative non-superconducting tunnel junctions. Finite size scaling methods are used to demonstrate the absence of coherent transport in Ohmic tunnel junctions. However, a quantum phase transition between coherent and incoherent behavior is found in sub-Ohmic tunnel junctions. The critical conductance is found to be temperature independent and the critical exponents, $ν$ and $η$, are found to be in agreement with renormalization group results by Kosterlitz.
By irradiating with a single ultrafast laser pulse a superconducting electrode of a Josephson junction it is possible to drive the quasiparticles (qp's) distribution strongly out of equilibrium. The behavior of the Josephson device can, thus, be modified on a fast time scale, shorter than the qp's relaxation time. This could be very useful, in that it allows fast control of Josephson charge qubits and, in general, of all Josephson devices. If the energy released to the top layer contact $S1$ of the junction is of the order of $\sim μJ$, the coherence is not degradated, because the perturbation…
The unique properties of spin-polarized surface or edge states in topological insulators (TIs) make these quantum coherent systems interesting from the point of view of both fundamental physics and their implementation in low power spintronic devices. Here we present such a study in TIs, through tunneling and noise spectroscopy utilizing TI/Al$_2$O$_3$/Co tunnel junctions with bottom TI electrodes of either Bi$_2$Te$_3$ or Bi$_2$Se$_3$. We demonstrate that features related to the band structure of the TI materials show up in the tunneling conductance and even more clearly through low frequency…
In the Josephson effect, coherent Cooper pair tunneling is driven by the phase difference between the superconducting order parameters on opposite sides of the junction. By analogy, differences in order parameters across a junction should lead to coherent tunneling of the condensed objects that exist in the broken symmetry state. To exhibit the generality of this phenomenon and make predictions from a realistic model, we study the case of a tunnel junction between two itinerant antiferromagnets. At the mean-field level, we find an equilibrium current of the staggered magnetization through the …
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 investigate the thermopower of a metal-molecule-metal junction taking into account thermal effects on the junction. Based on analytical expressions and numerical simulations we show that the thermoelectric potential reveals valuable information on the mechanisms controlling the electron transfer process, including coherent transmission and thermalized hopping. We also show that at high temperatures the position of the Fermi energy relative to the molecular states can be easily deduced from the thermoelectric potential. Standard current-voltage measurements are insensitive to this informatio…
We show that in {\em ballistic} mesoscopic SNS junctions the period of critical current vs. magnetic flux dependence (magnetic interference pattern), $I_c(Φ)$, changes {\em continuously and non-monotonically} from $Φ_0$ to $2Φ_0$ as the length-to-width ratio of the junction grows, or temperature drops. In {\em diffusive} mesoscopic junctions the change is even more drastic, with the first zero of $I_c(Φ)$ appearing at $3Φ_0$. The effect is a manifestation of nonlocal relation between the supercurrent density and superfluid velocity in the normal part of the system, with the characteristic scal…
Josephson junctions operated in the dynamical Coulomb blockade regime recently gained an significant amount of attention as central building block in concepts to demonstrate the non-Abelian character of Majorana fermions. Its physical properties are strongly affected by the intimate interplay of intrinsic quantum fluctuations and environmentally-induced quantum fluctuations each of which promoting different Cooper pair transport mechanisms at small voltages around zero. To shed light on the detailed transport mechanisms occurring in this type of junction, we performed voltage-biased measuremen…
Spin-coherent quantum transport in carbon nanotube magnetic tunnel junctions was investigated theoretically. A spin-valve effect is found for metallic, armchair tubes, with a magneto-conductance ratio ranging up to 20%. Because of the finite length of the nanotube junctions, transport is dominated by resonant transmission. The magnetic tunnel junctions are found to have distinctly different transport behavior depending on whether or not the length of the tubes is commensurate with a 3N+1 rule, with N the number of basic carbon repeat units along the nanotube length.
We consider electronic transport through a single-molecule junction where the molecule has a degenerate spectrum. Unlike previous transport models, and theories a rate-equations description is no longer possible, and the quantum coherences between degenerate states have to be taken into account. We present the derivation and application of a master equation that describes the system in the weak-coupling limit and give an in-depth discussion of the parameter regimes and the new phenomena due to coherent on-site dynamics.
We present a theoretical analysis aimed at understanding electrical conduction in molecular tunnel junctions. We focus on discussing the validity of coherent versus incoherent theoretical formulations for single-level tunneling to explain experimental results obtained under a wide range of experimental conditions, including measurements in individual molecules connecting the leads of electromigrated single-electron transistors and junctions of self-assembled monolayers (SAM) of molecules sandwiched between two macroscopic contacts. We show that the restriction of transport through a single lev…
In our theoretical study where we combine a nonequilibrium Green's function (NEGF) approach with density functional theory (DFT) we investigate branched compounds containing ferrocene moieties in both branches which due to their metal centers are designed to allow for asymmetry induced by local charging. In these compounds the ferrocene moieties are connected to pyridyl anchor groups either directly or via acetylenic spacers in a meta-connection where we also compare our results with those obtained for the respective single-branched molecules with both meta- and para-connections between the me…
Coherent emission of light by a split excitonic Bose-Einstein condensate -- excitonic Josephson junction -- can be extremely sensitive to the Josephson phase established across the junction. As a result of this, the emission can be redistributed between different directions and even cancelled. The cases of the dipole- and of the quadrupole-active excitons are considered.
Two superconductors coupled by a weak link support an equilibrium Josephson electrical current which depends on the phase difference $φ$ between the superconducting condensates [1]. Yet, when a temperature gradient is imposed across the junction, the Josephson effect manifests itself through a coherent component of the heat current that flows oppositely to the thermal gradient for $ φ<π/2$ [2-4]. The direction of both the Josephson charge and heat currents can be inverted by adding a $π$ shift to $φ$. In the static electrical case, this effect was obtained in a few systems, e.g. via a ferromag…
We report experimental evidence that the microwave electromagnetic field generated by a normal conductor, here a tunnel junction placed at ultra-low temperature, can be non-classical. By measuring the quadratures of the electromagnetic field at one or two frequencies in the GHz range, we demonstrate the existence of squeezing as well as entanglement in such radiation. In one experiment, we observe that the variance of one quadrature of the photo-assisted noise generated by the junction goes below its vacuum level. In the second experiment, we demonstrate the existence of correlations between t…
We study coherent phonon transport through organic, π-conjugated molecules. Using first principles calculations and Green's function methods, we find that the phonon transmission function in cross-conjugated molecules, like meta-connected benzene, exhibits destructive quantum interference features very analogous to those observed theoretically and experimentally for electron transport in similar molecules. The destructive interference features observed in four different cross-conjugated molecules significantly reduce the thermal conductance with respect to linear conjugated analogues. Such con…
In this contribution, we calculate the spin-dependent ballistic and coherent transport through epitaxial Fe/ZnSe (001) simple and double magnetic tunnel junctions with two different interface terminations: Zn-terminated and Se-terminated. The electronic structure of the junctions is modeled by a second-nearest neighbors {\it spd} tight-binding Hamiltonian parametrized to {\it ab initio} calculated band structures, while the conductances and the tunneling magnetoresistance are calculated within Landauer's formalism. The calculations are done at zero bias voltage and as a function of energy. We …
We analyse a picture of transport in which two large but finite charged electrodes discharge across a nanoscale junction. We identify a functional whose minimisation, within the space of all bound many-body wavefunctions, defines an instantaneous steady state. We also discuss factors that favour the onset of steady-state conduction in such systems, make a connection with the notion of entropy, and suggest a novel source of steady-state noise. Finally, we prove that the true many-body total current in this closed system is given exactly by the one-electron total current, obtained from time-depe…
Two-dimensional correlation spectroscopy (2DCS) based on the nonlinear optical response of excitons to sequences of ultrafast pulses, has the potential to provide some unique insights into carrier dynamics in semiconductors. The most prominent feature of 2DCS, cross peaks, can best be understood using a sum-over-states picture involving the many-body eigenstates. However, the optical response of semiconductors is usually calculated by solving truncated equations of motion for dynamical variables, which result in a quasiparticle picture. In this work we derive Green's function expressions for t…
