Nature of well-defined conductance of amine anchored molecular junctions

Amine terminated molecules show well behaved conductance in the scanning tunneling microscope break-junction experimental measurements. We performed density functional theory based electron transport calculations to explain the nature of this phenomenon. We find that amines can be adsorbed only on apex Au atom, while thiolate group can be attached equally well to undercoordinated and clean Au surfaces. Our calculations show that only one adsorption geo metry is sterically and energetically possible for amine anchored junction whereas three different adsorption geometries with very distinct transport pro perties are almost equally probable for thiolate anchored junction. We calculated the conductance as a function of the junction stretching when the molecules are pulled by the scanning tunneling microscope tip from the Au electrode. Our calculations show that the stretching of the thiolate anchored junction during its formation is accompanied by significant electrode geometry distortio n. The amine anchored junctions exhibit very different behavior -- the electrode remains intact when the scan ning tunneling microscope tip stretches the junction

Domain Wall and Periodic Solutions of Coupled phi4 Models in an External Field

Coupled double well (phi4) one-dimensional potentials abound in both condensed matter physics and field theory. Here we provide an exhaustive set of exact periodic solutions of a coupled $\phi^4$ model in an external field in terms of elliptic functions (domain wall arrays) and obtain single domain wall solutions in specific limits. We also calculate the energy and interaction between solitons for various solutions. Both topological and nontopological (e.g. some pulse-like solutions in the presence of a conjugate field) domain walls are obtained. We relate some of these solutions to the recently observed magnetic domain walls in certain multiferroic materials and also in the field theory context wherever possible. Discrete analogs of these coupled models, relevant for structural transitions on a lattice, are also considered.Comment: 35 pages, no figures (J. Math. Phys. 2006

Integration, management and communication of heterogeneous design resources with WWW technologies

Recently, advanced information technologies have opened new pos-sibilities for collaborative designs. In this paper, a Web-based collaborative de-sign environment is proposed, where heterogeneous design applications can be integrated with a common interface, managed dynamically for publishing and searching, and communicated with each other for integrated multi-objective de-sign. The CORBA (Common Object Request Broker Architecture) is employed as an implementation tool to enable integration and communication of design application programs; and the XML (eXtensible Markup Language) is used as a common data descriptive language for data exchange between heterogeneous applications and for resource description and recording. This paper also intro-duces the implementation of the system and the encapsulating issues of existing legacy applications. At last, an example of gear design based on the system is il-lustrated to identify the methods and procedure developed by this research

Classification of Multipartite Entanglement via Negativity Fonts

Partial transposition of state operator is a well known tool to detect quantum correlations between two parts of a composite system. In this letter, the global partial transpose (GPT) is linked to conceptually multipartite underlying structures in a state - the negativity fonts. If K-way negativity fonts with non zero determinants exist, then selective partial transposition of a pure state, involving K of the N qubits (K leq N) yields an operator with negative eigevalues, identifying K-body correlations in the state. Expansion of GPT interms of K-way partially transposed (KPT) operators reveals the nature of intricate intrinsic correlations in the state. Classification criteria for multipartite entangled states, based on underlying structure of global partial transpose of canonical state, are proposed. Number of N-partite entanglement types for an N qubit system is found to be 2^{N-1}-N+2, while the number of major entanglement classes is 2^{N-1}-1. Major classes for three and four qubit states are listed. Subclasses are determined by the number and type of negativity fonts in canonical state.Comment: 5 pages, No figures, Corrected typo

Baryon enhancement in high-density QCD and relativistic heavy ion collisions

We argue that the collinear factorization of the fragmentation functions in high energy nuclear collisions breaks down at transverse momenta $p_T \lesssim Q_s/g$ due to high parton densities in the colliding hadrons and/or nuclei. We find that gluon recombination dominates in that $p_T$ region. We calculate the inclusive cross-section for $\pi$ meson and nucleon production using the low energy theorems for the scale anomaly in QCD, and compare our quantitative baryon-to-meson ratio to the RHIC data.Comment: 4 pages, 2 figure; Contribution to Quark Matter 2008 in Jaipur, India; submitted to J. Phys.

Absence of Localization in Certain Field Effect Transistors

We review some experimental and theoretical results on the metal-to-insulator transition (MIT) observed at zero magnetic field (B=0) in several two-dimensional electron systems (2DES). Scaling of the conductance and magnetic field dependence of the conductance provide convincing evidence that the MIT is driven by Coulomb interactions among the carriers and is dramatically sensitive to spin polarization of the carriers.Comment: 8 pages, LaTeX, figure label change