Functionality in single-molecule devices: Model calculations and applications of the inelastic electron tunneling signal in molecular junctions

We analyze how functionality could be obtained within single-molecule devices by using a combination of non-equilibrium Green's functions and ab-initio calculations to study the inelastic transport properties of single-molecule junctions. First we apply a full non-equilibrium Green's function technique to a model system with electron-vibration coupling. We show that the features in the inelastic electron tunneling spectra (IETS) of the molecular junctions are virtually independent of the nature of the molecule-lead contacts. Since the contacts are not easily reproducible from one device to another, this is a very useful property. The IETS signal is much more robust versus modifications at the contacts and hence can be used to build functional nanodevices. Second, we consider a realistic model of a organic conjugated molecule. We use ab-initio calculations to study how the vibronic properties of the molecule can be controlled by an external electric field which acts as a gate voltage. The control, through the gate voltage, of the vibron frequencies and (more importantly) of the electron-vibron coupling enables the construction of functionality: non-linear amplification and/or switching is obtained from the IETS signal within a single-molecule device.Comment: Accepted for publication in Journal of Chemical Physic

Growth of Oriented Au Nanostructures: Role of Oxide at the Interface

We report on the formation of oriented gold nano structures on Si(100) substrate by annealing procedures in low vacuum (\approx10-2 mbar) and at high temperature (\approx 975^{\circ} C). Various thicknesses of gold films have been deposited with SiOx (using high vacuum thermal evaporation) and without SiOx (using molecular beam epitaxy) at the interface on Si(100). Electron microscopy measurements were performed to determine the morphology, orientation of the structures and the nature of oxide layer. Interfacial oxide layer, low vacuum and high temperature annealing conditions are found to be necessary to grow oriented gold structures. These gold structures can be transferred by simple scratching method.Comment: 13 pages, 3 figures, Accepted in J. Appl. Phy

Cancer cell lines show high heritability for motility but not generation time

Tumour evolution depends on heritable differences between cells in traits affecting cell survival or replication. It is well established that cancer cells are genetically and phenotypically heterogeneous; however, the extent to which this phenotypic variation is heritable is far less well explored. Here, we estimate the broad-sense heritability (H2) of two cell traits related to cancer hallmarks––cell motility and generation time––within populations of four cancer cell lines in vitro and find that motility is strongly heritable. This heritability is stable across multiple cell generations, with heritability values at the high end of those measured for a range of traits in natural populations of animals or plants. These findings confirm a central assumption of cancer evolution, provide a first quantification of the evolvability of key traits in cancer cells and indicate that there is ample raw material for experimental evolution in cancer cell lines. Generation time, a trait directly affecting cell fitness, shows substantially lower values of heritability than cell speed, consistent with its having been under directional selection removing heritable variation

The ART of IAM: The Winning Strategy for the 2006 Competition

In many dynamic open systems, agents have to interact with one another to achieve their goals. Here, agents may be self-interested, and when trusted to perform an action for others, may betray that trust by not performing the actions as required. In addition, due to the size of such systems, agents will often interact with other agents with which they have little or no past experience. This situation has led to the development of a number of trust and reputation models, which aim to facilitate an agent's decision making in the face of uncertainty regarding the behaviour of its peers. However, these multifarious models employ a variety of different representations of trust between agents, and measure performance in many different ways. This has made it hard to adequately evaluate the relative properties of different models, raising the need for a common platform on which to compare competing mechanisms. To this end, the ART Testbed Competition has been proposed, in which agents using different trust models compete against each other to provide services in an open marketplace. In this paper, we present the winning strategy for this competition in 2006, provide an analysis of the factors that led to this success, and discuss lessons learnt from the competition about issues of trust in multiagent systems in general. Our strategy, IAM, is Intelligent (using statistical models for opponent modelling), Abstemious (spending its money parsimoniously based on its trust model) and Moral (providing fair and honest feedback to those that request it)

Spin precession and inverted Hanle effect in a semiconductor near a finite-roughness ferromagnetic interface

Although the creation of spin polarization in various non-magnetic media via electrical spin injection from a ferromagnetic tunnel contact has been demonstrated, much of the basic behavior is heavily debated. It is reported here for semiconductor/Al2O3/ferromagnet tunnel structures based on Si or GaAs that local magnetostatic fields arising from interface roughness dramatically alter and even dominate the accumulation and dynamics of spins in the semiconductor. Spin precession in the inhomogeneous magnetic fields is shown to reduce the spin accumulation up to tenfold, and causes it to be inhomogeneous and non-collinear with the injector magnetization. The inverted Hanle effect serves as experimental signature. This interaction needs to be taken into account in the analysis of experimental data, particularly in extracting the spin lifetime and its variation with different parameters (temperature, doping concentration). It produces a broadening of the standard Hanle curve and thereby an apparent reduction of the spin lifetime. For heavily doped n-type Si at room temperature it is shown that the spin lifetime is larger than previously determined, and a new lower bound of 0.29 ns is obtained. The results are expected to be general and occur for spins near a magnetic interface not only in semiconductors but also in metals, organic and carbon-based materials including graphene, and in various spintronic device structures.Comment: Final version, with text restructured and appendices added (25 pages, 9 figures). To appear in Phys. Rev.

Non-Collinear Ferromagnetic Luttinger Liquids

The presence of electron-electron interactions in one dimension profoundly changes the properties of a system. The separation of charge and spin degrees of freedom is just one example. We consider what happens when a system consisting of a ferromagnetic region of non-collinearity, i.e. a domain wall, is coupled to interacting electrons in one-dimension (more specifically a Luttinger liquid). The ferromagnetism breaks spin charge separation and the presence of the domain wall introduces a spin dependent scatterer into the problem. The absence of spin charge separation and the effects of the electron correlations results in very different behaviour for the excitations in the system and for spin-transfer-torque effects in this model.Comment: 6 pages, submitted to Journal of Physics: Conference Series for JEMS 201

Generalized information entropies depending only on the probability distribution

Systems with a long-term stationary state that possess as a spatio-temporally fluctuation quantity $\beta$ can be described by a superposition of several statistics, a "super statistics". We consider first, the Gamma, log-normal and $F$-distributions of $\beta$. It is assumed that they depend only on $p_l$, the probability associated with the microscopic configuration of the system. For each of the three $\beta-$distributions we calculate the Boltzmann factors and show that they coincide for small variance of the fluctuations. For the Gamma distribution it is possible to calculate the entropy in a closed form, depending on $p_l$, and to obtain then an equation relating $p_l$ with $\beta E_l$. We also propose, as other examples, new entropies close related with the Kaniadakis and two possible Sharma-Mittal entropies. The entropies presented in this work do not depend on a constant parameter $q$ but on $p_l$. For the $p_l$-Gamma distribution and its corresponding $B_{p_l}(E)$ Boltzmann factor and the associated entropy, we show the validity of the saddle-point approximation. We also briefly discuss the generalization of one of the four Khinchin axioms to get this proposed entropy.Comment: 13 pages, 3 figure

Does Luttinger liquid behaviour survive in an atomic wire on a surface?

We form a highly simplified model of an atomic wire on a surface by the coupling of two one-dimensional chains, one with electron-electron interactions to represent the wire and and one with no electron-electron interactions to represent the surface. We use exact diagonalization techniques to calculate the eigenstates and response functions of our model, in order to determine both the nature of the coupling and to what extent the coupling affects the Luttinger liquid properties we would expect in a purely one-dimensional system. We find that while there are indeed Luttinger liquid indicators present, some residual Fermi liquid characteristics remain.Comment: 14 pages, 7 figures. Submitted to J Phys