arXiv subjects

R. Gutierrez

Publications and source records attributed to R. Gutierrez.

31 records · Page 2Linked to original sources

arXiv2006

Inelastic quantum transport in a ladder model: Measurements of DNA conduction and comparison to theory

We investigate quantum transport characteristics of a ladder model, which effectively mimics the topology of a double-stranded DNA molecule. We consider the interaction of tunneling charges with a selected internal vibrational degree of freedom and discuss its influence on the structure of the current-voltage characteristics. Further, molecule-electrode contact effects are shown to dramatically affect the orders of magnitude of the current. Recent electrical transport measurements on suspended DNA oligomers with a complex base-pair sequence, revealing strikingly high currents, are also presented and used as a reference point for the theoretical modeling. A semi-quantitative description of the measured I-V curves is achieved, suggesting that the coupling to vibrational excitations plays an important role in DNA conduction.

cond-mat.soft↗

arXiv2006

Effective models for charge transport in DNA nanowires

The rapid progress in the field of molecular electronics has led to an increasing interest on DNA oligomers as possible components of electronic circuits at the nanoscale. For this, however, an understanding of charge transfer and transport mechanisms in this molecule is required. Experiments show that a large number of factors may influence the electronic properties of DNA. Though full first principle approaches are the ideal tool for a theoretical characterization of the structural and electronic properties of DNA, the structural complexity of this molecule make these methods of limited use. Consequently, model Hamiltonian approaches, which filter out single factors influencing charge propagation in the double helix are highly valuable. In this chapter, we give a review of different DNA models which are thought to capture the influence of some of these factors. We will specifically focus on static and dynamic disorder.

cond-mat.soft↗

arXiv2006

Modeling molecular conduction in DNA wires: Charge transfer theories and dissipative quantum transport

Measurements of electron transfer rates as well as of charge transport characteristics in DNA produced a number of seemingly contradictory results, ranging from insulating behaviour to the suggestion that DNA is an efficient medium for charge transport. Among other factors, environmental effects appear to play a crucial role in determining the effectivity of charge propagation along the double helix. This chapter gives an overview over charge transfer theories and their implication for addressing the interaction of a molecular conductor with a dissipative environment. Further, we focus on possible applications of these approaches for charge transport through DNA-based molecular wires.

cond-mat.soft↗

arXiv2005

Dissipative Effects in the Electronic Transport through DNA Molecular Wires

We investigate the influence of a dissipative environment which effectively comprises the effects of counterions and hydration shells, on the transport properties of short \DNA wires. Their electronic structure is captured by a tight-binding model which is embedded in a bath consisting of a collection of harmonic oscillators. Without coupling to the bath a temperature independent gap opens in the electronic spectrum. Upon allowing for electron-bath interaction the gap becomes temperature dependent. It increases with temperature in the weak-coupling limit to the bath degrees of freedom. In the strong-coupling regime a bath-induced {\it pseudo-gap} is formed. As a result, a crossover from tunneling to activated behavior in the low-voltage region of the $I$-$V$ characteristics is observed with increasing temperature. The temperature dependence of the transmission near the Fermi energy, $t(E_{\rm F})$, manifests an Arrhenius-like behavior in agreement with recent transport experiments. Moreover, $t(E_{\rm F})$ shows a weak exponential dependence on the wire length, typical of strong incoherent transport. Disorder effects smear the electronic bands, but do not appreciably affect the pseudo-gap formation.

cond-mat.soft↗

arXiv2005

Quantum transport through a DNA wire in a dissipative environment

Electronic transport through DNA wires in the presence of a strong dissipative environment is investigated. We show that new bath-induced electronic states are formed within the bandgap. These states show up in the linear conductance spectrum as a temperature dependent background and lead to a crossover from tunneling to thermal activated behavior with increasing temperature. Depending on the strength of the electron-bath coupling, the conductance at the Fermi level can show a weak exponential or even an algebraic length dependence. Our results suggest a new environmental-induced transport mechanism. This might be relevant for the understanding of molecular conduction experiments in liquid solution, like those recently performed on poly(GC) oligomers in a water buffer (B. Xu et al., Nano Lett 4, 1105 (2004)).

cond-mat.soft↗

arXiv2005

Vibrational effects in the linear conductance of carbon nanotubes

We study the influence of structural lattice fluctuations on the elastic electron transport in single-wall carbon nanotubes within a density-functional-based scheme. In the linear response regime, the linear conductance is calculated via configurational averages over the distorted lattice. Results obtained from a frozen-phonon approach as well as from molecular dynamics simulations are compared. We further suggest that the effect of structural fluctuations can be qualitatively captured by the Anderson model with bond disorder. The influence of individual vibrational modes on the electronic transport is discussed as well as the role of zero-point fluctuations.

cond-mat.mes-hall↗

arXiv2004

GAUDI: a preparatory archive for the COROT mission

The GAUDI database (Ground-based Asteroseismology Uniform Database Interface, http://sdc.laeff.esa.es/gaudi/) is a preparatory archive for the COROT (COnvection, ROtation and planetary Transits, http://www.astrsp-mrs.fr/projets/corot/) mission developed at LAEFF (Laboratory for Space Astrophysics and Theoretical Physics, http://www.laeff.esa.es). Its intention is to make the ground-based observations obtained in the preparation of the asteroseismology programme available in a simple and efficient way. It contains spectroscopic and photometric data together with inferred physical parameters for more than 1500 objects gathered since January 1998 in 6 years of observational campaigns. In this paper, the main functionalities and characteristics of the system are described. The observations have been collected at ESO-La Silla, Telescopio Nazionale Galileo, Observatoire de Haute-Provence, South African Astronomical Observatory, Tautenberg Observatory and Sierra Nevada Observatory.

astro-ph↗

arXiv2004

Giant magnetoresistance of multiwall carbon nanotubes: modeling the tube/ferromagnetic-electrode burying contact

We report on the giant magnetoresistance (GMR) of multiwall carbon nanotubes with ultra small diameters. In particular, we consider the effect of the inter-wall interactions and the lead/nanotube coupling. Comparative studies have been performed to show that in the case when all walls are well coupled to the electrodes, the so-called inverse GMR can appear. The tendency towards a negative GMR depends on the inter-wall interaction and on the nanotube le ngth. If, however, the inner nanotubes are out of contact with one of the electrodes, the GMR remains positive even for relatively strong inter-wall interactions regardless of the outer nanotube length. These results shed additional light on recently reported experimental data, where an inverse GMR was found in some multiwall carbon nanotube samples.

cond-mat.mes-hall↗

arXiv2003

Conductance of a molecular junction mediated by unconventional metal-induced gap states

The conductance of a molecular junction is commonly determined by either charge-transfer-doping, where alignment of the Fermi energy to the molecular levels is achieved, or tunnelling through the tails of molecular resonances within the highest-occupied and lowest-unoccupied molecular-orbital gap. Here, we present an alternative mechanism where electron transport is dominated by electrode surface states. They give rise to metallization of the molecular bridge and additional, pronounced conductance resonances allowing for substantial tailoring of its electronic properties via, e.g. a gate voltage. This is demonstrated in a field-effect geometry of a fullerene-bridge between two metallic carbon nanotubes.

cond-mat.mes-hall↗

arXiv2002

Interference Blockade in the Conductance of Organic Molecules

The conductance of {\em cis/trans} isomers of stilbene molecules connected to armchair single wall carbon nanotubes is studied in the Landauer formalism combined with a density-functional based approach. For a given arrangement of the electrodes, dramatic differences in the transmission between both isomers are found. For a given isomer, the conductance can be varied by orders of magnitude by changing the molecule-electrode relative orientation. Both effects can be explained by a simple, physically transparent interference rule, which suggests a straightforward conductance control in such molecular systems by different switching mechanisms.

cond-mat.mes-hall↗

arXiv2002

The role of contacts in molecular electronics

Molecular electronic devices are the upmost destiny of the miniaturization trend of electronic components. Although not yet reproducible on large scale, molecular devices are since recently subject of intense studies both experimentally and theoretically, which agree in pointing out the extreme sensitivity of such devices on the nature and quality of the contacts. This chapter intends to provide a general theoretical framework for modelling electronic transport at the molecular scale by describing the implementation of a hybrid method based on Green function theory and density functional algorithms. In order to show the presence of contact-dependent features in the molecular conductance, we discuss three archetypal molecular devices, which are intended to focus on the importance of the different sub-parts of a molecular two-terminal setup.

cond-mat.mes-hall↗

arXiv2001

Fullerene based devices for molecular electronics

We have investigated the electronic properties of a C_60 molecule in between carbon nanotube leads. This problem has been tackled within a quantum chemical treatment utilizing a density functional theory-based LCAO approach combined with the Landauer formalism. Owing to low-dimensionality, electron transport is very sensitive to the strength and geometry of interfacial bonds. Molecular contact between interfacial atoms and electrodes gives rise to a complex conductance dependence on the electron energy exhibiting spectral features of both the molecule and electrodes. These are attributed to the electronic structure of the C_60 molecule and to the local density of states of the leads, respectively.

cond-mat.mes-hall↗

arXiv2001

An `all-carbon' molecular device

We have performed parameter-free calculations of electron transport across a carbon molecular junction consisting of a C$_{60}$ molecule sandwiched between two semi-infinite metallic carbon nanotubes. It is shown that the Landauer conductance of this carbon hybrid system can be tuned within orders of magnitude not only by varying the tube-C$_{60}$ distance, but more importantly at fixed distances by i) changing the orientation of the Buckminsterfullerene or ii) rotating one of the tubes around its cylinder axis. Furthermore, it is explicitely shown that structural relaxation determines qualitatively the transmission spectrum of such devices.

cond-mat.mes-hall↗