Many-body theory of electronic transport in single-molecule heterojunctions

A many-body theory of molecular junction transport based on nonequilibrium Green's functions is developed, which treats coherent quantum effects and Coulomb interactions on an equal footing. The central quantity of the many-body theory is the Coulomb self-energy matrix $\Sigma_{\rm C}$ of the junction. $\Sigma_{\rm C}$ is evaluated exactly in the sequential tunneling limit, and the correction due to finite tunneling width is evaluated self-consistently using a conserving approximation based on diagrammatic perturbation theory on the Keldysh contour. Our approach reproduces the key features of both the Coulomb blockade and coherent transport regimes simultaneously in a single unified transport theory. As a first application of our theory, we have calculated the thermoelectric power and differential conductance spectrum of a benzenedithiol-gold junction using a semi-empirical $\pi$-electron Hamiltonian that accurately describes the full spectrum of electronic excitations of the molecule up to 8--10eV.Comment: 13 pages, 7 figure

Investigation of the effect of hot water and water vapour treatments on the strength of thermally conditioned E-glass fibres

The processing and reuse of end-of-life composite products in an environmentally friendly manner is an important challenge facing the industry. The development of an economically viable process for regenerating the properties of thermally recycled glass fibres would have significant technological, economic and environmental impacts. Thermal recycling processes for composites are relatively technologically advanced; however, they present a substantial challenge when considering their use for recycling of glass fibre reinforced materials. A combination of exposure to elevated temperatures in the region 450 – 600 °C and to mechanical damage has been shown to cause significant strength loss in glass fibres of up to 90 % of their original value. The recovered fibres are thus unsuitable for use as reinforcement in a second generation composite. Methods of strength recovery that may be applied to such recycled fibres are therefore of interest, particularly if these methods are relatively technologically straightforward. An investigation of possible strength recovery methods using hot water or water vapour was carried out on E-glass fibres. The methods were derived from similar studies on silica in which significant strengthening effects were presented alongside theoretical frameworks to explain the phenomenon [1–3]; a maximum threefold increase in strength following water vapour treatment at 250 °C was demonstrated on silica artificially weakened by abrasion

Correlated charge polarization in a chain of coupled quantum dots

Coherent charge transfer in a linear array of tunnel-coupled quantum dots, electrostatically coupled to external gates, is investigated using the Bethe ansatz for a symmetrically biased Hubbard chain. Charge polarization in this correlated system is shown to proceed via two distinct processes: formation of bound states in the metallic phase, and charge transfer processes corresponding to a superposition of antibound states at opposite ends of the chain in the Mott-insulating phase. The polarizability in the insulating phase of the chain exhibits a universal scaling behavior, while the polarization charge in the metallic phase of the model is shown to be quantized in units of $e/2$.Comment: 9 pages, 3 figures, 1 tabl

Spring Hydrology of Colorado Bend State Park, Central Texas

Karst development in Ellenburger carbonates near Colorado Bend State Park in central Texas exhibits complex polygenetic origins, with porosity development dominated by an early hypogene phase that has subsequently been overprinted to varying degrees by epigene processes. Quarterly physicochemical and continuous thermal monitoring analyses of eight springs in the study area indicate that modern groundwater flow paths are highly variable. Springs exhibit patterns that range from shallow, distributed recharge into diffuse-flow dominated systems, to focused recharge into well-connected conduit systems, to deep-circulation systems that equilibrate with bedrock. All springs, except Sulphur Spring, exhibit physicochemical characteristics indicative of proximal epigenic groundwater flow through Ellenburger carbonates, while Sulphur Spring shows elevated temperature and dissolved-ion concentrations indicative of longer groundwater flow paths through deeper strata. The polygenetic nature of karst development in the Colorado Bend State Park has created an enhanced porosity structure which forms a complex modern groundwater flow network

Control of quantum interference in molecular junctions: Understanding the origin of Fano and anti- resonances

We investigate within a coarse-grained model the conditions leading to the appearance of Fano resonances or anti-resonances in the conductance spectrum of a generic molecular junction with a side group (T-junction). By introducing a simple graphical representation (parabolic diagram), we can easily visualize the relation between the different electronic parameters determining the regimes where Fano resonances or anti-resonances in the low-energy conductance spectrum can be expected. The results obtained within the coarse-grained model are validated using density-functional based quantum transport calculations in realistic T-shaped molecular junctions.Comment: 5 pages, 5 figure

Evidence for deficits in behavioural and physiological responses in aged mice relevant to the psychiatric symptom of apathy

Apathy is widely reported in patients with neurological disorders or post viral infection but is also seen in otherwise-healthy aged individuals. This study investigated whether aged male mice express behavioural and physiological changes relevant to an apathy phenotype. Using measures of motivation to work for reward, we found deficits in the progressive ratio task related to rate of responding. In an effort-related decision-making task, aged mice were less willing to exert effort for high value reward. Aged mice exhibited reduced reward sensitivity but also lower measures of anxiety in the novelty supressed feeding test and an attenuated response to restraint stress with lower corticosterone and reduced paraventricular nucleus c-fos activation. This profile of affective changes did not align with those observed in models of depression but suggested emotional blunting. In a test of cognition (novel object recognition), aged mice showed no impairments, but activity was lower in a measure of exploration in a novel environment. Together, these data suggest aged mice show changes across the domains of motivated behaviour, reward sensitivity and emotional reactivity and may be a suitable model for the pre-clinical study of the psychiatric symptom of apathy

The Escape Problem in a Classical Field Theory With Two Coupled Fields

We introduce and analyze a system of two coupled partial differential equations with external noise. The equations are constructed to model transitions of monovalent metallic nanowires with non-axisymmetric intermediate or end states, but also have more general applicability. They provide a rare example of a system for which an exact solution of nonuniform stationary states can be found. We find a transition in activation behavior as the interval length on which the fields are defined is varied. We discuss several applications to physical problems.Comment: 24 page

Coherent Resonant Tunneling Through an Artificial Molecule

Coherent resonant tunneling through an artificial molecule of quantum dots in an inhomogeneous magnetic field is investigated using an extended Hubbard model. Both the multiterminal conductance of an array of quantum dots and the persistent current of a quantum dot molecule embedded in an Aharanov-Bohm ring are calculated. The conductance and persistent current are calculated analytically for the case of a double quantum dot and numerically for larger arrays using a multi-terminal Breit-Wigner type formula, which allows for the explicit inclusion of inelastic processes. Cotunneling corrections to the persistent current are also investigated, and it is shown that the sign of the persistent current on resonance may be used to determine the spin quantum numbers of the ground state and low-lying excited states of an artificial molecule. An inhomogeneous magnetic field is found to strongly suppress transport due to pinning of the spin-density-wave ground state of the system, and giant magnetoresistance is predicted to result from the ferromagnetic transition induced by a uniform external magnetic field.Comment: 23 pages, 12 figure

Kinetics of four-wave mixing for a 2D magneto-plasma in strong magnetic fields

We investigate the femtosecond kinetics of an optically excited 2D magneto-plasma at intermediate and high densities under a strong magnetic field perpendicular to the quantum well (QW). We assume an additional weak lateral confinement which lifts the degeneracy of the Landau levels partially. We calculate the femtosecond dephasing and relaxation kinetics of the laser pulse excited magneto-plasma due to bare Coulomb potential scattering, because screening is under these conditions of minor importance. In particular the time-resolved and time-integrated four-wave mixing (FWM) signals are calculated by taking into account three Landau subbands in both the valance and the conduction band assuming an electron-hole symmetry. The FWM signals exhibit quantum beats mainly with twice the cyclotron frequency. Contrary to general expectations, we find no pronounced slowing down of the dephasing with increasing magnetic field. On the contrary, one obtains a decreasing dephasing time because of the increase of the Coulomb matrix elements and the number of states in a given Landau subband. In the situation when the loss of scattering channels exceeds these increasing effects, one gets a slight increase at the dephasing time. However, details of the strongly modulated scattering kinetics depend sensitively on the detuning, the plasma density, and the spectral pulse width relative to the cyclotron frequency.Comment: 13 pages, in RevTex format, 10 figures, Phys. Rev B in pres

Giant Thermoelectric Effect from Transmission Supernodes

We predict an enormous order-dependent quantum enhancement of thermoelectric effects in the vicinity of a higher-order `supernode' in the transmission spectrum of a nanoscale junction. Single-molecule junctions based on 3,3'-biphenyl and polyphenyl ether (PPE) are investigated in detail. The nonequilibrium thermodynamic efficiency and power output of a thermoelectric heat engine based on a 1,3-benzene junction are calculated using many-body theory, and compared to the predictions of the figure-of-merit ZT.Comment: 5 pages, 6 figure