arXiv subjects

Rainer Härtle

Publications and source records attributed to Rainer Härtle.

8 recordsLinked to original sources

arXiv2017

Hierarchical equations of motion approach to transport through an Anderson impurity coupled to interacting Luttinger liquid leads

We generalize the hierarchical equations of motion method to study electron transport through a quantum dot or molecule coupled to one-dimensional interacting leads that can be described as Luttinger liquids. Such leads can be realized, for example, by quantum wires or fractional quantum Hall edge states. In comparison to noninteracting metallic leads, Luttinger liquid leads involve many-body correlations and the single-particle tunneling density of states shows a power-law singularity at the chemical potential. Using the generalized hierarchical equations of motion method, we assess the importance of the singularity and the next-to-leading order many-body correlations. To this end, we compare numerically converged results with second and first-order results of the hybridization expansion that is inherent to our method. As a test case, we study transport through a single-level quantum dot or molecule that can be described by an Anderson impurity model. Cotunneling effects turn out to be most pronounced for attractive interactions in the leads or repulsive ones if an excitonic coupling between the dot and the leads is realized. We also find that an interaction-induced negative differential conductance near the Coulomb blockade thresholds is slightly suppressed as compared to a first-order and/or rate equation result. Moreover, we find that the two-particle ($n$-particle) correlations enter as a second-order ($n$-order) effect and are, thus, not very pronounced at the high temperatures and parameters that we consider.

cond-mat.mes-hall↗

arXiv2016

Sharp peaks in the conductance of double quantum dot and quantum dot spin-valve systems at high temperatures: A hierarchical quantum master equation approach

We study sharp peaks in the conductance-voltage characteristics of a double quantum dot and a quantum dot spin-valve that are located around zero bias. The peaks share similarities with a Kondo peak but can be clearly distinguished, in particular as they occur at high temperatures. The underlying physical mechanism is a strong current suppression that is quenched in bias-voltage dependent ways by exchange interactions. Our theoretical results are based on the quantum master equation methodology, including the Born-Markov approximation and a numerically exact, hierarchical scheme, which we extend here to the spin-valve case. The comparison of exact and approximate results allows us to reveal the underlying physical mechanisms, the role of first-, second- and beyond-second-order processes and the robustness of the effect.

cond-mat.mes-hall↗

arXiv2015

Vibrationally dependent electron-electron interactions in resonant electron transport through single-molecule junctions

We investigate the role of electronic-vibrational coupling in resonant electron transport through single-molecule junctions, taking into account that the corresponding coupling strengths may depend on the charge and excitation state of the molecular bridge. In the presence of multiple electronic states, this requires to extend the commonly used model and include vibrationally dependent electron-electron interaction. We use Born-Markov master equation methods and consider selected models to exemplify the effect of the additional interaction on the transport characteristics of a single-molecule junction. In particular, we show that it has a significant influence on local cooling and heating mechanisms, may result in negative differential resistance, and cause pronounced asymmetries in the conductance map of a single-molecule junction.

cond-mat.mes-hall↗

arXiv2015

Effect of broadening in the weak coupling limit of vibrationally coupled electron transport through molecular junctions and the analogy to quantum dot circuit QED systems

We investigate the nonequilibrium population of a vibrational mode in the steady state of a biased molecular junction, using a rate equation approach. We focus on the limit of weak electronic-vibrational coupling and show that, in the resonant transport regime and for sufficiently high bias voltages, the level of vibrational excitation increases with decreasing coupling strength, assuming a finite and non-zero value. An analytic behavior with respect to the electronic-vibrational coupling strength is only observed if the influence of environmental degrees of freedom is explicitly taken into account. We consider the influence of three different types of broadening: hybridization with the electrodes, thermal fluctuations and the coupling to a thermal heat bath. Our results apply to vibrationally coupled electron transport through molecular junctions but also to quantum dots coupled to a microwave cavity, where the photon number can be expected to exhibit a similar behavior.

cond-mat.mes-hall↗

arXiv2012

Experimental Evidence for Quantum Interference and Vibrationally Induced Decoherence in Single-Molecule Junctions

We analyze quantum interference and decoherence effects in single-molecule junctions both experimentally and theoretically by means of the mechanically controlled break junction technique and density-functional theory. We consider the case where interference is provided by overlapping quasi-degenerate states. Decoherence mechanisms arising from the electronic-vibrational coupling strongly affect the electrical current flowing through a single-molecule contact and can be controlled by temperature variation. Our findings underline the all-important relevance of vibrations for understanding charge transport through molecular junctions.

cond-mat.mes-hall↗

arXiv2012

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.

cond-mat.mes-hall↗

arXiv2010

Resonant vibrations, peak broadening and noise in single molecule contacts: beyond the resonant tunnelling picture

We carry out experiments on single-molecule junctions at low temperatures, using the mechanically controlled break junction technique. Analyzing the results received with more than ten different molecules the nature of the first peak in the differential conductance spectra is elucidated. We observe an electronic transition with a vibronic fine structure, which is most frequently smeared out and forms a broad peak. In the usual parameter range we find strong indications that additionally fluctuations become active even at low temperatures. We conclude that the electrical field feeds instabilities, which are triggered by the onset of current. This is underscored by noise measurements that show strong anomalies at the onset of charge transport.

cond-mat.mes-hall↗

arXiv2010

Mode-selective vibrational excitation induced by nonequilibrium transport processes in single-molecule junctions

In a nanoscale molecular junction at finite bias voltage,the intra-molecular distribution of vibrational energy can strongly deviate from the thermal equilibrium distribution and specific vibrational modes can be selectively excited in a controllable way,regardless of the corresponding mode frequency. This is demonstrated for generic models of asymmetric molecular junctions with localized electronic states, employing a master equation as well as a nonequilibrium Green's function approach. It is shown that the applied bias voltage controls the excitation of specific vibrational modes coupled to these states, by tuning their electronic population,which influences the efficiency of vibrational cooling processes due to energy exchange with the leads.

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