166 research outputs found
Relation between inelastic electron tunneling and vibrational excitation of single adsorbates on metal surfaces
We analyse theoretically a relation between the vibrational generation rate
of a single adsorbate by tunneling electrons and the inelastic tunneling (IET)
current in scanning tunneling microscope, and the influence of the vibrational
excitations on the rate of adsorbate motions. Special attention is paid to the
effects of finite lifetime of the vibrational excitations. We show that in the
vicinity and below the IET threshold the rate of adsorbate motion deviates from
a simple power-law dependence on the bias voltage due to the effects of bath
temperature and adsorbate vibrational lifetime broadenings. The temperature
broadening appears to be confined near the threshold voltage within a narrow
region of several , whereas the lifetime broadening manifests itself in
a much wider region of applied voltages below the IET threshold.Comment: 8 pages including 4 figure
Nonequilibrium resonant spectroscopy of molecular vibrons
Quantum transport through single molecules is essentially affected by
molecular vibrations. We investigate the behavior of the prototype single-level
model with intermediate electron-vibron coupling and arbitrary coupling to the
leads. We have developed a theory which allows to explore this regime via the
nonequilibrium Green function formalism. We show that the nonequilibrium
resonant spectroscopy is able to determine the energies of molecular orbitals
and the spectrum of molecular vibrations. Our results are relevant to scanning
tunneling spectroscopy experiments, and demonstrate the importance of the
systematic and self-consistent investigation of the effects of the vibronic
dynamics onto the transport through single molecules.Comment: 4 pages, 5 figures, submitte
Inelastic transport theory from first-principles: methodology and applications for nanoscale devices
We describe a first-principles method for calculating electronic structure,
vibrational modes and frequencies, electron-phonon couplings, and inelastic
electron transport properties of an atomic-scale device bridging two metallic
contacts under nonequilibrium conditions. The method extends the
density-functional codes SIESTA and TranSIESTA that use atomic basis sets. The
inelastic conductance characteristics are calculated using the nonequilibrium
Green's function formalism, and the electron-phonon interaction is addressed
with perturbation theory up to the level of the self-consistent Born
approximation. While these calculations often are computationally demanding, we
show how they can be approximated by a simple and efficient lowest order
expansion. Our method also addresses effects of energy dissipation and local
heating of the junction via detailed calculations of the power flow. We
demonstrate the developed procedures by considering inelastic transport through
atomic gold wires of various lengths, thereby extending the results presented
in [Frederiksen et al., Phys. Rev. Lett. 93, 256601 (2004)]. To illustrate that
the method applies more generally to molecular devices, we also calculate the
inelastic current through different hydrocarbon molecules between gold
electrodes. Both for the wires and the molecules our theory is in quantitative
agreement with experiments, and characterizes the system-specific mode
selectivity and local heating.Comment: 24 pages, 17 figure
Proceedings of the Salford Postgraduate Annual Research Conference (SPARC) 2011
These proceedings bring together a selection of papers from the 2011 Salford Postgraduate Annual Research Conference(SPARC). It includes papers from PhD students in the arts and social sciences, business, computing, science and engineering, education, environment, built environment and health sciences. Contributions from Salford researchers are published here alongside papers from students at the Universities of Anglia Ruskin, Birmingham City, Chester,De Montfort, Exeter, Leeds, Liverpool, Liverpool John Moores and Manchester
Thermodynamic calculation of partial phase diagram of Al-Si alloy at high pressure
Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/43019/1/10855_2004_Article_BF00720763.pd
Mechanism for the Suppression of Intermediate-Mass Black Holes
A model for the formation of supermassive primordial black holes in galactic
nuclei with the simultaneous suppression of the formation of intermediate-mass
black holes is presented. A bimodal mass function for black holes formed
through phase transitions in a model with a "Mexican hat" potential has been
found. The classical motion of the phase of a complex scalar field during
inflation has been taken into account. Possible observational manifestations of
primordial black holes in galaxies and constraints on their number are
discussed.Comment: 12 pages, 2 figure
Green function techniques in the treatment of quantum transport at the molecular scale
The theoretical investigation of charge (and spin) transport at nanometer
length scales requires the use of advanced and powerful techniques able to deal
with the dynamical properties of the relevant physical systems, to explicitly
include out-of-equilibrium situations typical for electrical/heat transport as
well as to take into account interaction effects in a systematic way.
Equilibrium Green function techniques and their extension to non-equilibrium
situations via the Keldysh formalism build one of the pillars of current
state-of-the-art approaches to quantum transport which have been implemented in
both model Hamiltonian formulations and first-principle methodologies. We offer
a tutorial overview of the applications of Green functions to deal with some
fundamental aspects of charge transport at the nanoscale, mainly focusing on
applications to model Hamiltonian formulations.Comment: Tutorial review, LaTeX, 129 pages, 41 figures, 300 references,
submitted to Springer series "Lecture Notes in Physics
Dvl2-Dependent Activation of Daam1 and RhoA Regulates Wnt5a-Induced Breast Cancer Cell Migration
The Dishevelled (Dvl) and Dishevelled-associated activator of morphogenesis 1 (Daam1) pathway triggered by Wnt5a regulates cellular polarity during development and tissue homoeostasis. However, Wnt5a signaling in breast cancer progression remains poorly defined.We showed here that Wnt5a activated Dvl2, Daam1 and RhoA, and promoted migration of breast cancer cells, which was, however, abolished by Secreted Frizzled-related protein 2 (sFRP2) pretreatment. Dominant negative Dvl2 mutants or Dvl2 siRNA significantly decreased Wnt5a-induced Daam1/RhoA activation and cell migration. Ectopic expression of N-Daam1, a dominant negative mutant, or Daam1 siRNA remarkably inhibited Wnt5a-induced RhoA activation, stress fiber formation and cell migration. Ectopic expression of dominant negative RhoA (N19) or C3 exoenzyme transferase, a Rho inhibitor, decreased Wnt5a-induced stress fiber formation and cell migration.Taken together, we demonstrated for the first time that Wnt5a promotes breast cancer cell migration via Dvl2/Daam1/RhoA
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