Publications (31)27.94 Total impact
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Article: Many-body localized molecular orbital approach to molecular transport
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ABSTRACT: 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.10/2012; -
Article: Subgap features due to quasiparticle tunneling in quantum dots coupled to superconducting leads
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ABSTRACT: We present a microscopic theory of transport through quantum dot set-ups coupled to superconducting leads. We derive a master equation for the reduced density matrix to lowest order in the tunneling Hamiltonian and focus on quasiparticle tunneling. For high enough temperatures transport occurs in the subgap region due to thermally excited quasiparticles, which can be used to observe excited states of the system for low bias voltages. On the example of a double quantum dot we show how subgap transport spectroscopy can be done. Moreover, we use the single level quantum dot coupled to a normal and a superconducting lead to give a possible explanation for the subgap features observed in the experiments published in Appl. Phys. Lett. 95, 192103 (2009).08/2012; -
Article: Topographical fingerprints of many-body interference blocking in STM junctions on thin insulating films
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ABSTRACT: 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.06/2012; -
Article: Vibration induced memory effects and switching in ac-driven molecular nanojunctions
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ABSTRACT: 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.05/2012; -
Article: Keldysh effective action theory for universal physics in spin-1/2 Kondo dots
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ABSTRACT: We present a theory for the Kondo spin-1/2 effect in strongly correlated quantum dots. The theory is applicable at any temperature and voltage. It is based on a quadratic Keldysh effective action parameterized by a universal function. We provide a general analytical form for the tunneling density of states through this universal function for which we propose a simple microscopic model. We apply our theory to the highly asymmetric Anderson model with $U=\infty$ and describe its strong coupling limit, weak coupling limit and crossover region within a single analytical expression. We compare our results with numerical renormalization group in equilibrium and with a real-time renormalization group out of equilibrium and show that the universal shapes of the linear and differential conductance obtained in our theory and in these theories are very close to each other in a wide range of temperatures and voltages. In particular, as in the real-time renormalization group, we predict that at the Kondo voltage the differential conductance is equal to 2/3 of its maximum.03/2012; -
Article: Spin channel Keldysh field theory for weakly interacting quantum dots
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ABSTRACT: We develop a low-energy nonequilibrium field theory for weakly interacting quantum dots. The theory is based on the Keldysh field integral in the spin channel of the quantum dot described by the single impurity Anderson Hamiltonian. The effective Keldysh action is a functional of the Hubbard-Stratonovich magnetization field decoupling the quantum dot spin channel. We expand this action up to the second order with respect to the magnetization field, which allows to describe nonequilibrium interacting quantum dots at low temperatures and weak electron-electron interactions,up to the contacts-dot coupling energy. Besides its simplicity, an additional advantage of the theory is that it correctly describes the unitary limit giving the correct result for the conductance maximum. Thus our theory establishes an alternative simple method relevant for investigation of weakly interacting nonequilibrium nanodevices.02/2012; -
Article: Theory of STM junctions for \pi-conjugated molecules on thin insulating films
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ABSTRACT: A microscopic theory of the transport in a scanning tunnelling microscope (STM) set-up is introduced for \pi-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.01/2012; -
Article: Kondo effect in interacting nanoscopic systems: Keldysh field integral theory
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ABSTRACT: Kondo physics in nonequilibrium interacting nanoscale devices is an attractive fundamental many-particle phenomenon with a rich potential for applications. Due to enormous complexity its clear and flexible theory is still highly desirable. We develop a physically transparent analytical theory capable to correctly describe the Kondo effect in strongly interacting systems at temperatures close to and above the Kondo temperature. We derive a nonequilibrium Keldysh field theory valid for a system with any finite electron-electron interaction which is much stronger than the coupling of the system to contacts. Finite electron-electron interactions are treated involving as many slave-boson degrees of freedom as one needs for a concrete many-body system. In a small vicinity of the zero slave-bosonic field configuration weak slave-bosonic oscillations, induced by the dot-contacts tunneling, are described by an effective Keldysh action quadratic in the slave-bosonic fields. For clarity the theory is presented for the single impurity Anderson model but the construction of the Keldysh field integral is universal and applicable to systems with more complex many-body spectra.09/2011; -
Article: Spectrum and Franck-Condon factors of interacting suspended single-wall carbon nanotubes
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ABSTRACT: 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.09/2011; -
Article: Slave-boson Keldysh field theory for the Kondo effect in quantum dots
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ABSTRACT: We present a {\it nonequilibrium nonperturbative} field theory for the Kondo effect in strongly interacting quantum dots at finite temperatures. Unifying the slave-boson representation with the Keldysh field integral an effective Keldysh action is derived and explored in the vicinity of the zero slave-bosonic field configuration. The theory properly reflects the essential features of the Kondo physics and at the same time significantly simplifies a field-theoretic treatment of the phenomenon, avoiding complicated saddle point analysis or 1/N expansions, used so far. Importantly, our theory admits a {\it closed analytical} solution which explains the mechanism of the Kondo effect in terms of an interplay between the real and imaginary parts of the slave-bosonic self-energy. It thus provides a convenient nonperturbative building block, playing the role of a "free propagator", for more advanced theories. We finally demonstrate that already this simplest possible field theory is able to correctly reproduce experimental data on the Kondo peak observed in the differential conductance, correctly predicts the Kondo temperature and, within its applicability range, has the same universal temperature dependence of the conductance as the one obtained in numerical renormalization group calculations.04/2011; -
Article: Dynamical symmetry breaking in vibration-assisted transport through nanostructures
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ABSTRACT: 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.01/2011; -
Article: Interference effects in the Coulomb blockade regime: current blocking and spin preparation in symmetric nanojunctions
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ABSTRACT: 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.07/2010; -
Article: Inelastic cotunneling in quantum dots and molecules with weakly broken degeneracies
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ABSTRACT: We calculate the nonlinear cotunneling conductance through interacting quantum dot systems in the deep Coulomb blockade regime using a rate equation approach based on the T-matrix formalism, which shows in the concerned regions very good agreement with a generalized master equation approach. Our focus is on inelastic cotunneling in systems with weakly broken degeneracies, such as complex quantum dots or molecules. We find for these systems a characteristic gate dependence of the non-equilibrium cotunneling conductance. While on one side of a Coulomb diamond the conductance decreases after the inelastic cotunneling threshold towards its saturation value, on the other side it increases monotonously even after the threshold. We show that this behavior originates from an asymmetric gate voltage dependence of the effective cotunneling amplitudes.03/2010; -
Article: Charge ratchet from spin flip: space-time symmetry paradox
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ABSTRACT: Traditionally the charge ratchet effect is considered as a consequence of either the spatial symmetry breaking engineered by asymmetric periodic potentials, or time asymmetry of the driving fields. Here we demonstrate that electrically and magnetically driven quantum dissipative systems with spin-orbit interactions represent an exception from this standard idea. In contrast to the so far well established belief, a charge ratchet effect appears when both the periodic potential and driving are symmetric. We show that the source of this paradoxical charge ratchet mechanism is the coexistence of quantum dissipation with the spin flip processes induced by spin-orbit interactions. Comment: 5 pages, 3 figures11/2009; -
Article: All-electric spin control in interference single electron transistors.
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ABSTRACT: Single particle interference lies at the heart of quantum mechanics. The archetypal double-slit experiment(1) has been repeated with electrons in vacuum(2,3) up to the more massive C(60) molecules.(4) Mesoscopic rings threaded by a magnetic flux provide the solid-state analogues.(5,6) Intramolecular interference has been recently discussed in molecular junctions.(7-11) 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(12-14) and spin-qubit applications.(15-19) The device consists of an interference single electron transistor,(10,11) 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 interaction 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.Nano Letters 09/2009; 9(8):2897-902. · 13.20 Impact Factor -
Article: Extrinsic and intrinsic ratchet response of a quantum dissipative spin-orbit medium
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ABSTRACT: Traditionally the charge ratchet effect is considered as a consequence of the extrinsic spatial asymmetry engineered by external asymmetric periodic potentials. Here we demonstrate that electrically and magnetically driven dissipative systems with spin-orbit interactions represent an exception from this standard idea. The charge and spin ratchet currents appear just due to the coexistence of quantum dissipation with the intrinsic spatial asymmetry of the spin-orbit coupling. The extrinsic spatial asymmetry is inessential.04/2009; -
Article: Exchange effects in spin polarized transport through carbon nanotube quantum dots
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ABSTRACT: We investigate linear and nonlinear transport across single-walled carbon nanotube quantum dots weakly coupled to spin-polarized leads. We consider tubes of finite length and small diameter, where not only forward scattering contributions of the Coulomb potential, but also short-ranged processes play an important role. In particular, they induce exchange effects leading for electron fillings 4n+2 either to a non-degenerate groundstate of spin S=0 or to a triplet groundstate. In the linear regime we present analytical results for the conductance - for both the S=0 and the triplet groundstate - and demonstrate that an external magnetic field is crucial to reveal the spin nature of the groundstates. In the nonlinear regime we show stability diagrams that clearly distinguish between the different groundstates. We observe a negative differential conductance (NDC) effect in the S=0 groundstate for antiparallel lead magnetization. In presence of an external magnetic field spin blockade effects can be detected, again leading to NDC effects for both groundstates. Comment: 13 pages, 15 figures, 2 tables; revised published version03/2009; -
Article: Interplay between quantum dissipation and an in-plane magnetic field in the spin ratchet effect
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ABSTRACT: We investigate the existence of the pure spin ratchet effect in a dissipative quasi-one-dimensional system with Rashba spin-orbit interaction. The system is additionally placed into a transverse uniform stationary in-plane magnetic field. It is shown that the effect exists at low temperatures and pure spin currents can be generated by applying an unbiased ac driving to the system. An analytical expression for the ratchet spin current is derived. From this expression it follows that the spin ratchet effect appears as a result of the simultaneous presence of the spin-orbit interaction, coupling between the orbital degrees of freedom and spatial asymmetry. In this paper we consider the case of a broken spatial symmetry by virtue of asymmetric periodic potentials. It turns out that an external magnetic field does not have any impact on the existence of the spin ratchet effect, but it influences its efficiency enhancing or reducing the magnitude of the spin current.10/2008; -
Article: Erratum: Symmetry fingerprints of a benzene single-electron transistor: Interplay between Coulomb interaction and orbital symmetry [Phys. Rev. B 77, 201406 (2008)]
Phys. Rev. B. 08/2008; 78(8). -
Article: Quantum dissipative Rashba spin ratchets.
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ABSTRACT: We predict the possibility to generate a finite stationary spin current by applying an unbiased ac driving to a quasi-one-dimensional asymmetric periodic structure with Rashba spin-orbit interaction and strong dissipation. We show that under a finite coupling strength between the orbital degrees of freedom the electron dynamics at low temperatures exhibits a pure spin ratchet behavior, i.e., a finite spin current and the absence of charge transport in spatially asymmetric structures. It is also found that the equilibrium spin currents are not destroyed by the presence of strong dissipation.Physical Review Letters 06/2008; 100(23):230601. · 7.37 Impact Factor
Top co-authors
Top Journals
- Physical Review Letters (2)
- Nano Letters (1)
Institutions
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2006–2011
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Universität Regensburg
- Institut für Theoretische Physik
Regensburg, Bavaria, Germany
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