arXiv subjects

Andrea Donarini

Publications and source records attributed to Andrea Donarini.

At least 37 records · Page 2Linked to original sources

arXiv2013

Topographical fingerprints of many-body interference blocking in STM junctions on thin insulating films

Negative differential conductance (NDC) is a non-linear transport phenomenon ubiquitous in molecular nanojunctions. Its physical origin can be the most diverse. In rotationally symmetric molecules with orbitally degenerate many-body states, it can be ascribed to interference effects. We establish in this paper a criterion to identify the interference blocking scenario by correlating the spectral and the topographical information achievable in an STM single molecule measurement. Simulations of current voltage characteristics and current maps for a Cu-Phthalocyanine (CuPc) on a thin insulating film are presented as experimentally relevant examples.

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arXiv2012

Many-body localized molecular orbital approach to molecular transport

An ab initio based theoretical approach to describe nonequilibrium many-body effects in molecular transport is developed. We introduce a basis of localized molecular orbitals and formulate the many-body model in this basis. In particular, the Hubbard-Anderson Hamiltonian is derived for single-molecule junctions with intermediate coupling to the leads. As an example we consider a benzenedithiol junction with gold electrodes. An effective few-level model is obtained, from which spectral and transport properties are computed and analyzed. Electron-electron interaction crucially affects transport and induces multiscale Coulomb blockade at low biases. At large bias, transport through asymmetrically coupled molecular edge states results in the occurrence of "anomalous" conductance features, i.e., of peaks with unexpectedly large/small height or even not located at the expected resonance energies.

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arXiv2012

Vibration induced memory effects and switching in ac-driven molecular nanojunctions

We investigate bistability and memory effects in a molecular junction weakly coupled to metallic leads with the latter being subject to an adiabatic periodic change of the bias voltage. The system is described by a simple Anderson-Holstein model and its dynamics is calculated via a master equation approach. The controlled electrical switching between the many-body states of the system is achieved due to polaron shift and Franck-Condon blockade in the presence of strong electron-vibron interaction. Particular emphasis is given to the role played by the excited vibronic states in the bistability and hysteretic switching dynamics as a function of the voltage sweeping rates. In general, both the occupation probabilities of the vibronic states and the associated vibron energy show hysteretic behaviour for driving frequencies in a range set by the minimum and maximum lifetimes of the system. The consequences on the transport properties for various driving frequencies and in the limit of DC-bias are also investigated.

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arXiv2012

Theory of STM junctions for π-conjugated molecules on thin insulating films

A microscopic theory of the transport in a scanning tunnelling microscope (STM) set-up is introduced for π-conjugated molecules on insulating films, based on the density matrix formalism. A key role is played in the theory by the energy dependent tunnelling rates which account for the coupling of the molecule to the tip and to the substrate. In particular, we analyze how the geometrical differences between the localized tip and extended substrate are encoded in the tunnelling rate and influence the transport characteristics. Finally, using benzene as an example of a planar, rotationally symmetric molecule, we calculate the STM current voltage characteristics and current maps and analyze them in terms of few relevant angular momentum channels.

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arXiv2012

Spectrum and Franck-Condon factors of interacting suspended single-wall carbon nanotubes

A low energy theory of suspended carbon nanotube quantum dots in weak tunnelling coupling with metallic leads is presented. The focus is put on the dependence of the spectrum and the Franck-Condon factors on the geometry of the junction including several vibronic modes. The relative size and the relative position of the dot and its associated vibrons strongly influence the electromechanical properties of the system. A detailed analysis of the complete parameters space reveals different regimes: in the short vibron regime the tunnelling of an electron into the nanotube generates a plasmon-vibron excitation while in the long vibron regime polaron excitations dominate the scenario. The small, position dependent Franck-Condon couplings of the small vibron regime convert into uniform, large couplings in the long vibron regime. Selection rules for the excitations of the different plasmon-vibron modes via electronic tunnelling events are also derived.

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arXiv2011

Dynamical symmetry breaking in vibration-assisted transport through nanostructures

A theoretical model of a single molecule coupled to many vibronic modes is presented. At low energies, transport is dominated by electron-vibron processes where transfer of an electron through the dot is accompanied by the excitation/emission of quanta (vibrons). Because the frequency of the $n$th mode is taken as an $n$th multiple of the frequency of the fundamental mode, several energetically degenerate or quasi-degenerate vibronic configurations can contribute to transport. We investigate the consequences of strong electron-vibron coupling in a fully \emph{symmetric} set-up. Several striking features are predicted. In particular, a gate-asymmetry and pronounced negative differential conductance features are observed. We attribute these features to the presence of slow channels originating from the interplay of Franck-Condon suppression of transport channels and spin/orbital degeneracies.

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arXiv2011

Dynamical symmetry breaking in vibration-assisted transport through nanostructures

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arXiv2010

Interference effects in the Coulomb blockade regime: current blocking and spin preparation in symmetric nanojunctions

We consider nanojunctions in the single-electron tunnelling regime which, due to a high degree of spatial symmetry, have a degenerate many body spectrum. As a consequence, interference phenomena which cause a current blocking can occur at specific values of the bias and gate voltage. We present here a general formalism to give necessary and sufficient conditions for interference blockade also in the presence of spin polarized leads. As an example we analyze a triple quantum dot single electron transistor (SET). For a set-up with parallel polarized leads, we show how to selectively prepare the system in each of the three states of an excited spin triplet without application of any external magnetic field.

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arXiv2009

All-electric-spin control in interference single electron transistors

Single particle interference lies at the heart of quantum mechanics. The archetypal double-slit experiment has been repeated with electrons in vacuum up to the more massive $C_{60}$ molecules. Mesoscopic rings threaded by a magnetic flux provide the solid-state analogous. Intra-molecular interference has been recently discussed in molecular junctions. Here we propose to exploit interference to achieve all-electrical control of a single electron spin in quantum dots, a highly desirable property for spintronics and spin-qubit applications. The device consists of an interference single electron transistor (ISET), where destructive interference between orbitally degenerate electronic states produces current blocking at specific bias voltages. We show that in the presence of parallel polarized ferromagnetic leads the interplay between interference and the exchange coupling on the system generates an effective energy renormalization yielding different blocking biases for majority and minority spins. Hence, by tuning the bias voltage full control over the spin of the trapped electron is achieved.

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arXiv2008

Transport through a double quantum dot system with non-collinearly polarized leads

We investigate linear and non-linear transport in a double quantum dot system weakly coupled to spin-polarized leads. In the linear regime, the conductance as well as the non-equilibrium spin accumulation are evaluated in analytic form. The conductance as a function of the gate voltage exhibits four peaks of different height, with mirror symmetry with respect to the charge neutrality point. As the polarization angle is varied, the position and shape of the peaks changes in a characteristic way which preserves the electron-hole symmetry of the problem. In the nonlinear regime negative differential conductance features occur for non collinear magnetisations of the leads. In the considered sequential tunneling limit, the tunneling magneto resistance (TMR) is always positive with a characteristic gate voltage dependence for non-collinear magnetization. If a magnetic field is added to the system, the TMR can become negative.

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arXiv2008

Symmetry fingerprints of a benzene single-electron transistor

The interplay between Coulomb interaction and orbital symmetry produces specific transport characteristics in molecular single electron transistors (SET) that can be considered as the fingerprints of the contacted molecule. Specifically we predict, for a benzene SET, selective conductance suppression and the appearance of negative differential conductance when changing the contacts from para to meta configuration. Both effects originate from destructive interference in transport involving states with orbital degeneracy.

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arXiv2006

Dynamical symmetry breaking in transport through molecules

We analyze the interplay between vibrational and electronic degrees of freedom in charge transport across a molecular single-electron transistor. We focus on the wide class of molecules which possess quasi-degenerate vibrational eigenstates, while no degeneracy occurs for their anionic configuration. We show that the combined effect of a thermal environment and coupling to leads, involving tunneling events charging and discharging the molecule, leads to a dynamical symmetry breaking where quasi-degenerate eigenstates acquire different occupations. This imbalance gives rise to a characteristic asymmetry of the current versus an applied gate voltage.

cond-mat.soft↗

arXiv2005

Dynamics of Shuttle Devices

Much interest has been drawn in recent years to the concept and realization of Nanoelectromechanical systems (NEMS). NEMS are nanoscale devices that combine mechanical and electrical dynamics in a strong interplay. The shuttle devices are a particular kind of Nanoelectromechanical systems. The characteristic component that gives the name to these devices is an oscillating quantum dot of nanometer size that transfers electrons one-by-one between a source and a drain lead. The device represents the nano-scale analog of an electromechanical bell in which a metallic ball placed between the plates of a capacitor starts to oscillate when a high voltage is applied to the plates. This thesis contains the description and analysis of the dynamics of two realizations of quantum shuttle devices. We describe the dynamics using the Generalized Master Equation approach: a well-suited method to treat this kind of open quantum systems. We also classify the operating modes in three different regimes: the tunneling, the shuttling and the coexistence regime. The characterization of these regimes is given in terms of three investigation tools: Wigner distribution functions, current and current-noise. The essential dynamics of these regimes is captured by three simplified models whose derivation from the full description is possible due to the time scale separation of the particular regime. We also obtain from these simplified models a more intuitive picture of the variety of different dynamics exhibited by the shuttle devices.

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arXiv2004

Current and current fluctuations in quantum shuttles

We review the properties of electron shuttles, i.e. nanoelectromechanical devices that transport electrons one-by-one by utilizing a combination of electronic and mechanical degrees of freedom. We focus on the extreme quantum limit, where the mechanical motion is quantized. We introduce the main theoretical tools needed for the analysis, e.g. generalized master equations and Wigner functions, and we outline the methods how the resulting large numerical problems can be handled. Illustrative results are given for current, noise, and full counting statistics for a number of model systems. Throughout the review we focus on the physics behind the various approximations, and some simple examples are given to illustrate the theoretical concepts. We also comment on the experimental situation.

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arXiv2004

Modeling of quantum electromechanical systems

We discuss methods for numerically solving the generalized Master equation GME which governs the time-evolution of the reduced density matrix of a mechanically movable mesoscopic device in a dissipative environment. As a specific example, we consider the quantum shuttle -- a generic quantum nanoelectromechanical system (NEMS). When expressed in the oscillator basis, the static limit of the GME becomes a large linear non-sparse matrix problem (characteristic size larger than 10^4 by 10^4) which however, as we show, can be treated using the Arnoldi iteration scheme. The numerical results are interpreted with the help of Wigner functions, and we compute the current and the noise in a few representative cases.

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arXiv2004

Shot Noise of a Quantum Shuttle

We formulate a theory for shot noise in quantum nanoelectromechanical systems. As a specific example, the theory is applied to a quantum shuttle, and the zero-frequency noise, measured by the Fano factor F, is computed. F reaches very low values (F~0.01) in the shuttling regime even in the quantum limit, confirming that shuttling is universally a low noise phenomenon. In approaching the semiclassical limit, the Fano factor shows a giant enhancement (F~100) at the shuttling threshold, consistent with predictions based on phase-space representations of the density matrix.

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arXiv2004

Shuttle instabilities: semiclassical phase analysis

We present a semiclassical analysis of the instability of an electron shuttle composed of three quantum dots: two are fixed and coupled via leads to electron resevoirs at different chemical potentials, while the central dot is mounted on a classical harmonic oscillator. The semiclassical analysis, which is valid if the central dot oscillation amplitude is larger than the quantum mechanical zero point motion, can be used to gain additional insight about the relationship of resonances and instabilities of the device.

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arXiv2004

Quantum theory of shuttling instability in a movable quantum dot array

We study the shuttling instability in an array of three quantum dots the central one of which is movable. We extend the results by Armour and MacKinnon on this problem to a broader parameter regime. The results obtained by an efficient numerical method are interpreted directly using the Wigner distributions. We emphasize that the instability should be viewed as a crossover phenomenon rather than a clear-cut transition.

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