39 research outputs found
Molecular crystal approach for pi-conjugated polymers: from PPP Hamiltonian to Holstein model for polaron states
Starting from the -electron Pariser-Parr-Pople (PPP) Hamiltonian which
includes both strong electron-phonon and electron-electron interactions, we
propose some strongly correlated wave functions of increasing quality for the
ground state of conjugated polymers. These wavefunctions are built by combining
different finite sets of local configurations extended at most over two
nearest-neighbour monomers. With this picture, the doped case with one
additional particle is expressed in terms of quasi-particle. Thus, the polaron
formation problem goes back to the study of a Holstein like model.Comment: 27 pages, 6 eps figs, Revtex; enlarged version. Submitted to Journal
of Physics: Condensed Matte
Static magneto-polarizability of cylindrical nanostructures
The static polarizability of cylindrical systems is shown to have a strong
dependence on a uniform magnetic field applied parallel to the tube axis. This
dependence is demonstrated by performing exact numerical diagonalizations of
simple cylinders (rolled square lattices), armchair and zig-zag carbon
nanotubes (rolled honeycomb lattices) for different electron-fillings. At low
temperature, the polarizability as function of the magnetic field has a
discontinuous character where plateau-like region are separated by sudden jumps
or peaks. A one to one correspondence is pointed out between each discontinuity
of the polarizability and the magnetic-field induced cross-over between the
ground state and the first excited state. Our results suggest the possibility
to use measurements of the static polarizability under magnetic field to get
important informations about excited states of cylindrical systems such as
carbon nanotubes.Comment: 9 eps fig
Pavlov's dog associative learning demonstrated on synaptic-like organic transistors
In this letter, we present an original demonstration of an associative
learning neural network inspired by the famous Pavlov's dogs experiment. A
single nanoparticle organic memory field effect transistor (NOMFET) is used to
implement each synapse. We show how the physical properties of this dynamic
memristive device can be used to perform low power write operations for the
learning and implement short-term association using temporal coding and spike
timing dependent plasticity based learning. An electronic circuit was built to
validate the proposed learning scheme with packaged devices, with good
reproducibility despite the complex synaptic-like dynamic of the NOMFET in
pulse regime
A simplified picture for Pi electrons in conjugated polymers : from PPP Hamiltonian to an effective molecular crystal approach
An excitonic method proper to study conjugated oligomers and polymers is
described and its applicability tested on the ground state and first excited
states of trans-polyacetylene, taken as a model. From the Pariser-Parr-Pople
Hamiltonian, we derive an effective Hamiltonian based on a local description of
the polymer in term of monomers; the relevant electronic configurations are
build on a small number of pertinent local excitations. The intuitive and
simple microscopic physical picture given by our model supplement recent
results, such as the Rice and Garstein ones. Depending of the parameters, the
linear absorption appears dominated by an intense excitonic peak.Comment: 41 Pages, 6 postscript figure
Excitonic Strings in one dimensional organic compounds
Important questions concern the existence of excitonic strings in organic
compounds and their signatures in the photophysics of these systems. A model in
terms of Hard Core Bosons is proposed to study this problem in one dimension.
Mainly the cases with two and three particles are studied for finite and
infinite lattices, where analytical results are accessible. It is shown that if
bi-excitonic states exist, three-excitonic and even, n-excitonic strings, at
least in a certain range of parameters, will exist. Moreover, the behaviour of
the transitions from one exciton to the biexciton is fully clarified. The
results are in agreement with exact finite cluster diagonalizations of several
model Hamiltonians.Comment: 36 pages, 4 eps figs. to appear in Phys. Rev.
Optical excitations of Peierls-Mott insulators with bond disorder
The density-matrix renormalization group (DMRG) is employed to calculate
optical properties of the half-filled Hubbard model with nearest-neighbor
interactions. In order to model the optical excitations of oligoenes, a Peierls
dimerization is included whose strength for the single bonds may fluctuate.
Systems with up to 100 electrons are investigated, their wave functions are
analyzed, and relevant length-scales for the low-lying optical excitations are
identified. The presented approach provides a concise picture for the size
dependence of the optical absorption in oligoenes.Comment: 12 pages, 13 figures, submitted to Phys. Rev.
Optical excitations in a one-dimensional Mott insulator
The density-matrix renormalization-group (DMRG) method is used to investigate
optical excitations in the Mott insulating phase of a one-dimensional extended
Hubbard model. The linear optical conductivity is calculated using the
dynamical DMRG method and the nature of the lowest optically excited states is
investigated using a symmetrized DMRG approach. The numerical calculations
agree perfectly with field-theoretical predictions for a small Mott gap and
analytical results for a large Mott gap obtained with a strong-coupling
analysis. Is is shown that four types of optical excitations exist in this Mott
insulator: pairs of unbound charge excitations, excitons, excitonic strings,
and charge-density-wave (CDW) droplets. Each type of excitations dominates the
low-energy optical spectrum in some region of the interaction parameter space
and corresponds to distinct spectral features: a continuum starting at the Mott
gap (unbound charge excitations), a single peak or several isolated peaks below
the Mott gap (excitons and excitonic strings, respectively), and a continuum
below the Mott gap (CDW droplets).Comment: 12 pages (REVTEX 4), 12 figures (in 14 eps files), 1 tabl
Electrostatic potential profiles of molecular conductors
The electrostatic potential across a short ballistic molecular conductor
depends sensitively on the geometry of its environment, and can affect its
conduction significantly by influencing its energy levels and wave functions.
We illustrate some of the issues involved by evaluating the potential profiles
for a conducting gold wire and an aromatic phenyl dithiol molecule in various
geometries. The potential profile is obtained by solving Poisson's equation
with boundary conditions set by the contact electrochemical potentials and
coupling the result self-consistently with a nonequilibrium Green's function
(NEGF) formulation of transport. The overall shape of the potential profile
(ramp vs. flat) depends on the feasibility of transverse screening of electric
fields. Accordingly, the screening is better for a thick wire, a multiwalled
nanotube or a close-packed self-assembled monolayer (SAM), in comparison to a
thin wire, a single-walled nanotube or an isolated molecular conductor. The
electrostatic potential further governs the alignment or misalignment of
intramolecular levels, which can strongly influence the molecular I-V
characteristic. An external gate voltage can modify the overall potential
profile, changing the current-voltage (I-V) characteristic from a resonant
conducting to a saturating one. The degree of saturation and gate modulation
depends on the metal-induced-gap states (MIGS) and on the electrostatic gate
control parameter set by the ratio of the gate oxide thickness to the channel
length.Comment: to be published in Phys. Rev. B 69, No.3, 0353XX (2004