Yonatan Dubi

Nature of the superconductor-insulator transition in disordered superconductors

The interplay of superconductivity and disorder has intrigued scientists for several decades. Disorder is expected to enhance the electrical resistance of a system, whereas superconductivity is associated with a zero-resistance state. Although superconductivity has been predicted to persist even in the presence of disorder, experiments performed on thin films have demonstrated a transition from a superconducting to an insulating state with increasing disorder or magnetic field. The nature of this transition is still under debate, and the subject has become even more relevant with the realization that high-transition-temperature (high-Tc) superconductors are intrinsically disordered. Here we present numerical simulations of the superconductor–insulator transition in two-dimensional disordered superconductors, starting from a microscopic description that includes thermal phase fluctuations. We demonstrate explicitly that disorder leads to the formation of islands where the superconducting order is high. For weak disorder, or high electron density, increasing the magnetic field results in the eventual vanishing of the amplitude of the superconducting order parameter, thereby forming an insulating state. On the other hand, at lower electron densities or higher disorder, increasing the magnetic field suppresses the correlations between the phases of the superconducting order parameter in different islands, giving rise to a different type of superconductor–insulator transition. One of the important predictions of this work is that in the regime of high disorder, there are still superconducting islands in the sample, even on the insulating side of the transition. This result, which is consistent with experiments, explains the recently observed huge magneto-resistance peak in disordered thin films and may be relevant to the observation of ‘the pseudogap phenomenon’ in underdoped high-Tc superconductors.

Molecular rectifier composed of DNA with high rectification ratio enabled by intercalation

The predictability, diversity and programmability of DNA make it a leading candidate for the design of functional electronic devices that use single molecules, yet its electron transport properties have not been fully elucidated. This is primarily because of a poor understanding of how the structure of DNA determines its electron transport. Here, we demonstrate a DNA-based molecular rectifier constructed by site-specific intercalation of small molecules (coralyne) into a custom-designed 11-base-pair DNA duplex. Measured current-voltage curves of the DNA-coralyne molecular junction show unexpectedly large rectification with a rectification ratio of about 15 at 1.1 V, a counter-intuitive finding considering the seemingly symmetrical molecular structure of the junction. A non-equilibrium Greens function-based model-parameterized by density functional theory calculations-revealed that the coralyne-induced spatial asymmetry in the electron state distribution caused the observed rectification. This inherent asymmetry leads to changes in the coupling of the molecular HOMO-1 level to the electrodes when an external voltage is applied, resulting in an asymmetric change in transmission.

Transport through Self-Assembled Monolayer Molecular Junctions: Role of In-Plane Dephasing

Self-assembled-monolayer (SAM) molecular junctions (MJs) constitute a promising building block candidate for future molecular electronic devices. Transport properties of SAM-MJs are usually calculated using either the phenomenological Simmons model, or a fully coherent transport theory, employing the SAMs periodicity. We suggest that dephasing plays an important role in determining the transport properties of SAM-MJs. We present an approach for calculating the transport properties of SAM-MJs that inherently takes into account in-plane dephasing in the electron motion as it traverses the SAM plane. The calculation is based on the nonequilibrium Green’s function formalism, with a local dynamics approximation that describes incoherent motion along the SAM plane. Our approach describes well the two hallmarks of transport through SAM-MJs, namely, the exponential decay of current with molecular chain length and the reduction of the current per molecule as compared to single-molecule junctions. Specifically, we ...

Negative differential conductance in molecular junctions: an overview of experiment and theory.

One of the ultimate goals of molecular electronics is to create technologies that will complement-and eventually supersede-Si-based microelectronics technologies. To reach this goal, electronic properties that mimic at least some of the electrical behaviors of todays semiconductor components must be recognized and characterized. An outstanding example for one such behavior is negative differential conductance (NDC), in which an increase in the voltage across the device terminals results in a decrease in the electric current passing through the device. This overview focuses on the NDC phenomena observed in metal-single molecule-metal molecular junctions, and is roughly divided into two parts. In the first part, the central experiments which demonstrate NDC in single-molecule junctions are critically reviewed, with emphasis on the main observations and their possible physical origins. The second part is devoted to the theory of NDC in single-molecule junctions, where simple models are employed to shed light on the different possible mechanisms leading to NDC.

Theory of the magnetoresistance of disordered superconducting films

Experiments on disordered superconducting thin films have revealed a magnetoresistance peak of several orders of magnitude. Starting from the disordered negative-U Hubbard model, we employ an ab initio approach that includes thermal fluctuations to calculate the resistance, and fully reproduces the experimental phenomenology. Maps of the microscopic current flow and local potential allow us to pinpoint the source of the magnetoresistance peak -- the conducting weak links change from normal on the low-field side of the peak to superconducting on the high-field side. Finally, we formulate a simple one-dimensional model to demonstrate how small superconducting regions will act as weak links in such a disordered thin film.

The Molecular Photo-Cell: Quantum Transport and Energy Conversion at Strong Non-Equilibrium

The molecular photo-cell is a single molecular donor-acceptor complex attached to electrodes and subject to external illumination. Besides the obvious relevance to molecular photo-voltaics, the molecular photo-cell is of interest being a paradigmatic example for a system that inherently operates in out-of-equilibrium conditions and typically far from the linear response regime. Moreover, this system includes electrons, phonons and photons, and environments which induce coherent and incoherent processes, making it a challenging system to address theoretically. Here, using an open quantum systems approach, we analyze the non-equilibrium transport properties and energy conversion performance of a molecular photo-cell, including both coherent and incoherent processes and treating electrons, photons, and phonons on an equal footing. We find that both the non-equilibrium conditions and decoherence play a crucial role in determining the performance of the photovoltaic conversion and the optimal energy configuration of the molecular system.

Tunneling into clean heavy fermion compounds: origin of the Fano line shape.

Recently observed tunneling spectra on clean heavy-fermion compounds show a lattice periodic Fano line shape similar to what is observed in the case of tunneling to a Kondo ion adsorbed at the surface. We show that the translation symmetry of a clean surface in the case of weakly correlated metals leads to a tunneling spectrum which shows a hybridization gap but does not have a Fano line shape. By contrast, in a strongly correlated heavy-fermion metal the heavy quasiparticle states will be broadened by interaction effects. The hybridization gap is completely filled in this way, and an ideal Fano line shape of width ∼2TK results. In addition, we discuss the possible influence of the tunneling tip on the surface, in (i) leading to additional broadening of the Fano line and (ii) enhancing the hybridization locally, hence adding to the impurity type behavior. The latter effects depend on the tip-surface distance.

How Kondo-holes create intense nanoscale heavy-fermion hybridization disorder

Replacing a magnetic atom by a spinless atom in a heavy-fermion compound generates a quantum state often referred to as a “Kondo-hole”. No experimental imaging has been achieved of the atomic-scale electronic structure of a Kondo-hole, or of their destructive impact [Lawrence JM, et al. (1996) Phys Rev B 53:12559–12562] [Bauer ED, et al. (2011) Proc Natl Acad Sci. 108:6857–6861] on the hybridization process between conduction and localized electrons which generates the heavy-fermion state. Here we report visualization of the electronic structure at Kondo-holes created by substituting spinless thorium atoms for magnetic uranium atoms in the heavy-fermion system URu2Si2. At each thorium atom, an electronic bound state is observed. Moreover, surrounding each thorium atom we find the unusual modulations of hybridization strength recently predicted to occur at Kondo-holes [Figgins J, Morr DK (2011) Phys Rev Lett 107:066401]. Then, by introducing the “hybridization gapmap” technique to heavy-fermion studies, we discover intense nanoscale heterogeneity of hybridization due to a combination of the randomness of Kondo-hole sites and the long-range nature of the hybridization oscillations. These observations provide direct insight into both the microscopic processes of heavy-fermion forming hybridization and the macroscopic effects of Kondo-hole doping.

Crossover behavior of the thermal conductance and Kramers' transition rate theory

Kramers’ theory frames chemical reaction rates in solution as reactants overcoming a barrier in the presence of friction and noise. For weak coupling to the solution, the reaction rate is limited by the rate at which the solution can restore equilibrium after a subset of reactants have surmounted the barrier to become products. For strong coupling, there are always sufficiently energetic reactants. However, the solution returns many of the intermediate states back to the reactants before the product fully forms. Here, we demonstrate that the thermal conductance displays an analogous physical response to the friction and noise that drive the heat current through a material or structure. A crossover behavior emerges where the thermal reservoirs dominate the conductance at the extremes and only in the intermediate region are the intrinsic properties of the lattice manifest. Not only does this shed new light on Kramers’ classic turnover problem, this result is significant for the design of devices for thermal management and other applications, as well as the proper simulation of transport at the nanoscale.

Local electronic structure and Fano interference in tunneling into a Kondo hole system.

Motivated by the recent success of local electron tunneling into heavy-fermion materials, we study the local electronic structure around a single Kondo hole in an Anderson lattice model and the Fano interference pattern relevant to STM experiments. Within the Gutzwiller method, we find that an intragap bound state exists in the heavy Fermi liquid regime. The energy position of the intragap bound state is dependent on the on-site potential scattering strength in the conduction and f-orbital channels. Within the same method, we derive a new dI/dV formulation, which includes explicitly the renormalization effect due to the f-electron correlation. It is found that the Fano interference gives asymmetric coherent peaks separated by the hybridization gap. The intragap peak structure has a lorenzian shape, and the corresponding dI/dV intensity depends on the energy location of the bound state.