Numerically exact, time-dependent treatment of vibrationally coupled electron transport in single-molecule junctions

The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) theory within second quantization representation of the Fock space, a novel numerically exact methodology to treat many-body quantum dynamics for systems containing identical particles, is applied to study the effect of vibrational motion on electron transport in a generic model for single-molecule junctions. The results demonstrate the importance of electronic-vibrational coupling for the transport characteristics. For situations where the energy of the bridge state is located close to the Fermi energy, the simulations show the time-dependent formation of a polaron state that results in a pronounced suppression of the current corresponding to the phenomenon of phonon blockade. We show that this phenomenon cannot be explained solely by the polaron shift of the energy but requires methods that incorporate the dynamical effect of the vibrations on the transport. The accurate results obtained with the ML-MCTDH in this parameter regime are compared to results of nonequilibrium Green's function (NEGF) theory.Comment: 39 pages, 11 figure

Thermoelectric effects in a strongly correlated model for Nax_xCoO2_2

Thermal response functions of strongly correlated electron systems are of appreciable interest to the larger scientific community both theoretically and technologically. Here we focus on the infinitely correlated t-J model on a geometrically frustrated two-dimensional triangular lattice. Using exact diagonalization on a finite sized system we calculate the dynamical thermal response functions in order to determine the thermopower, Lorenz number, and dimensionless figure of merit. The dynamical thermal response functions is compared to the infinite frequency limit and shown to be very weak functions of frequency, hence, establishing the validity of the high frequency formalism recently proposed by Shastry for the thermopower, Lorenz number, and the dimensionless figure of merit. Further, the thermopower is demonstrated to have a low to mid temperature enhancement when the sign of the hopping parameter $t$ is switched from positive to negative for the geometrically frustrated lattice considered.Comment: 16 pages, 10 figures, color version available at http://physics.ucsc.edu/~peterson/mrpeterson-condmat-NCO.pdf. V.2 has fixed minor typos in Eq. 11, 19, 25, and 26. V.3 is a color versio

Smartphone-based pathogen diagnosis in urinary sepsis patients.

BackgroundThere is an urgent need for rapid, sensitive, and affordable diagnostics for microbial infections at the point-of-care. Although a number of innovative systems have been reported that transform mobile phones into potential diagnostic tools, the translational challenge to clinical diagnostics remains a significant hurdle to overcome.MethodsA smartphone-based real-time loop-mediated isothermal amplification (smaRT-LAMP) system was developed for pathogen ID in urinary sepsis patients. The free, custom-built mobile phone app allows the phone to serve as a stand-alone device for quantitative diagnostics, allowing the determination of genome copy-number of bacterial pathogens in real time.FindingsA head-to-head comparative bacterial analysis of urine from sepsis patients revealed that the performance of smaRT-LAMP matched that of clinical diagnostics at the admitting hospital in a fraction of the time (~1 h vs. 18-28 h). Among patients with bacteremic complications of their urinary sepsis, pathogen ID from the urine matched that from the blood - potentially allowing pathogen diagnosis shortly after hospital admission. Additionally, smaRT-LAMP did not exhibit false positives in sepsis patients with clinically negative urine cultures.InterpretationThe smaRT-LAMP system is effective against diverse Gram-negative and -positive pathogens and biological specimens, costs less than $100 US to fabricate (in addition to the smartphone), and is configurable for the simultaneous detection of multiple pathogens. SmaRT-LAMP thus offers the potential to deliver rapid diagnosis and treatment of urinary tract infections and urinary sepsis with a simple test that can be performed at low cost at the point-of-care. FUND: National Institutes of Health, Chan-Zuckerberg Biohub, Bill and Melinda Gates Foundation

Development of Fuses for Protection of Geiger-Mode Avalanche Photodiode Arrays

Current-limiting fuses composed of Ti/Al/Ni were developed for use in Geiger-mode avalanche photodiode arrays for each individual pixel in the array. The fuses were designed to burn out at ∼4.5 × 10[superscript −3] A and maintain post-burnout leakage currents less than 10[superscript −7] A at 70 V sustained for several minutes. Experimental fuse data are presented and successful incorporation of the fuses into a 256 × 64 pixel InP-based Geiger-mode avalanche photodiode array is reported

Molecular transport junctions: Current from electronic excitations in the leads

Using a model comprising a 2-level bridge connecting free electron reservoirs we show that coupling of a molecular bridge to electron-hole excitations in the leads can markedly effect the source-drain current through a molecular junction.In some cases, e.g. molecules that exhibit strong charge transfer transitions, the contribution from electron-hole excitations can exceed the Landauer elastic current and dominate the observed conduction.Comment: 4 pages, 2 figures, submitted to PR

Inelastic effects in molecular junctions in the Coulomb and Kondo regimes: Nonequilibrium equation-of-motion approach

Inelastic effects in the Coulomb blockade and Kondo regimes of electron transport through molecular junctions are considered within a simple nonequilibrium equation-of-motion (EOM) approach. The scheme is self-consistent, and can qualitatively reproduce the main experimental observations of vibrational features in Coulomb blockade [H.Park et al., Nature 407, 57 (2000)] and Kondo [L.H.Yu et al., Phys. Rev. Lett. 93, 266802 (2004)] regimes. Considerations similar to the equilibrium EOM approach by Meir et al. [Phys. Rev. Lett. 66, 3048 (1991); ibid. 70, 2601 (1993)] are used on the Keldysh contour to account for the nonequilibrium nature of the junction, and dressing by appropriate Franck-Condon (FC) factors is used to account for vibrational features. Results of the equilibrium EOM scheme by Meir et al. are reproduced in the appropriate limit.Comment: 12 pages, 5 figure

Transport in molecular states language: Generalized quantum master equation approach

A simple scheme capable of treating transport in molecular junctions in the language of many-body states is presented. An ansatz in Liouville space similar to generalized Kadanoff-Baym approximation is introduced in order to reduce exact equation-of-motion for Hubbard operator to quantum master equation (QME)-like expression. A dressing with effective Liouville space propagation similar to standard diagrammatic dressing approach is proposed. The scheme is compared to standard QME approach, and its applicability to transport calculations is discussed within numerical examples.Comment: 10 pages, 3 figure

Finite temperature Drude weight of an integrable Bose chain

We study the Drude weight $D(T)$ at finite temperatures $T$ of an integrable bosonic model where the particles interact via nearest-neighbour coupling on a chain. At low temperatures, $D(T)$ is shown to be universal in the sense that this region is equivalently described by a Gaussian model. This low-temperature limit is also relevant for the integrable one-dimensional Bose gas. We then use the thermodynamic Bethe ansatz to confirm the low-temperature result, to obtain the high temperature limit of $D(T)$ and to calculate $D(T)$ numerically.Comment: 11 pages, 2 figure

Phonon-assisted transitions from quantum dot excitons to cavity photons

For a single semiconductor quantum dot embedded in a microcavity, we theoretically and experimentally investigate phonon-assisted transitions between excitons and the cavity mode. Within the framework of the independent boson model we find that such transitions can be very efficient, even for relatively large exciton-cavity detunings of several millielectron volts. Furthermore, we predict a strong detuning asymmetry for the exciton lifetime that vanishes for elevated lattice temperature. Our findings are corroborated by experiment, which turns out to be in good quantitative and qualitative agreement with theory

Transport and optical response of molecular junctions driven by surface plasmon-polaritons

We consider a biased molecular junction subjected to external time-dependent electromagnetic field. The field for two typical junction geometries (bowtie antennas and metal nanospheres) is calculated within finite-difference time-domain technique. Time-dependent transport and optical response of the junctions is calculated within non-equilibrium Green's function approach expressed in a form convenient for description of multi-level systems. We present numerical results for a two-level (HOMO-LUMO) model, and discuss influence of localized surface plasmon polariton modes on transport.Comment: 9 pages, 6 figure