1,534 research outputs found
Electronic interactions in fullerene spheres
The electron-phonon and Coulomb interactions inC, and larger fullerene
spheres are analyzed. The coupling between electrons and intramolecular
vibrations give corrections meV to the electronic energies for
C, and scales as in larger molecules. The energies associated
with electrostatic interactions are of order eV, in C and
scale as . Charged fullerenes show enhanced electron-phonon coupling,
meV, which scales as . Finally, it is argued that non only
C, but also C are highly polarizable molecules. The
polarizabilities scale as and , respectively. The role of this large
polarizability in mediating intermolecular interactions is also discussed.Comment: 12 pages. No figure
NBC: the Naïve Bayes Classification tool webserver for taxonomic classification of metagenomic reads
Motivation: Datasets from high-throughput sequencing technologies have yielded a vast amount of data about organisms in environmental samples. Yet, it is still a challenge to assess the exact organism content in these samples because the task of taxonomic classification is too computationally complex to annotate all reads in a dataset. An easy-to-use webserver is needed to process these reads. While many methods exist, only a few are publicly available on webservers, and out of those, most do not annotate all reads
Nonperturbative approach to the Hubbard model in C60 cluster
We propose a computational scheme for the Hubbard model in the C60 cluster in
which the interaction with the Fermi sea of charges added to the neutral
molecule is switched on sequentially. This is applied to the calculation of the
balance of charging energies, within a low-energy truncation of the space of
states which produces moderate errors for an intermediate range of the
interaction strength.Comment: 5 pages, Revtex, 2 figure
Theory of Superconducting of doped fullerenes
We develop the nonadiabatic polaron theory of superconductivity of
taking into account the polaron band narrowing and realistic
electron-phonon and Coulomb interactions. We argue that the crossover from the
BCS weak-coupling superconductivity to the strong-coupling polaronic and
bipolaronic superconductivity occurs at the BCS coupling constant independent of the adiabatic ratio, and there is nothing ``beyond'' Migdal's
theorem except small polarons for any realistic electron-phonon interaction. By
the use of the polaronic-type function and the ``exact'' diagonalization in the
truncated Hilbert space of vibrons (``phonons'') we calculate the ground state
energy and the electron spectral density of the molecule. This
allows us to describe the photoemission spectrum of in a wide
energy region and determine the electron-phonon interaction. The strongest
coupling is found with the high-frequency pinch mode and with the
Frenkel exciton. We clarify the crucial role of high-frequency bosonic
excitations in doped fullerenes which reduce the bare bandwidth and the Coulomb
repulsion allowing the intermediate and low-frequency phonons to couple two
small polarons in a Cooper pair. The Eliashberg-type equations are solved for
low-frequency phonons. The value of the superconducting , its pressure
dependence and the isotope effect are found to be in a remarkable agreement
with the available experimental data.Comment: 20 pages, Latex, 4 figures available upon reques
Midinfrared Conductivity in Orientationally Disordered Doped Fullerides
The coupling between the intramolecular vibrational modes and the doped
conduction electrons in is studied by a calculation of the
electronic contributions to the phonon self energies. The calculations are
carried out for an orientationally ordered reference solid with symmetry and for a model with quenched orientational disorder on the
fullerene sites. In both cases, the dispersion and symmetry of the renormalized
modes is governed by the electronic contributions. The current current
correlation functions and frequency dependent conductivity through the
midinfrared are calculated for both models. In the disordered structures, the
renormalized modes derived from even parity intramolecular phonons are resonant
with the dipole excited single particle spectrum, and modulate the predicted
midinfrared conductivity. The spectra for this coupled system are calculated
for several recently proposed microscopic models for the electron phonon
coupling, and a comparison is made with recent experimental data which
demonstrate this effect.Comment: 32 pages + 9 postscript figures (on request), REVTeX 3.
In-Situ Infrared Transmission Study of Rb- and K-Doped Fullerenes
We have measured the four IR active molecular vibrations in
as a function of doping . We observe
discontinuous changes in the vibrational spectra showing four distinct phases
(presumably , and 6). The and modes
show the largest changes shifting downward in frequency in four steps as the
doping increases. Several new very weak modes are visible in the phase
and are possibly Raman modes becoming weakly optically active. We present
quantitative fits of the data and calculate the electron-phonon coupling of the
IR mode.Comment: 3 pages, Figure 1 included, 3 more figures available by request.
REVTEX v3.0 IRC60DO
Community inclusion of wheelchair users during the long-term recovery phase following the 2010/2011 Canterbury earthquakes
Research exploring how people living with disability experience community inclusion during the medium to long-term recovery following natural disasters is scant. Yet such information is vital to ensure that recovering communities are inclusive of all members within the population. This study explored the perspectives of people with specific functional needs, wheelchair users, regarding their experience of community inclusion in the four years following the 2010/2011 earthquakes in Christchurch, New Zealand. Thirteen adult wheelchair users were interviewed one-to-one and then invited to attend a group interview. The group interview presented a summary of the interview data for discussion to help clarify and prioritise elements of community inclusion. All data were subjected to thematic analysis. Four interrelated themes described the key elements of the participants’ experience of community post-earthquakes: 1) earthquakes magnified barriers, 2) community inclusion requires energy, 3) social connections are important, and 4) an unprecedented opportunity for change. Findings emphasized the need for recovery energies at a local and national level to move from conceptualizing disability in terms of individual vulnerability, to instead, focusing on reducing environmental barriers that inhibit community inclusion. Of critical importance is creating pathways for people who experience disability to be co-creators of this change
Orientational Melting in Carbon Nanotube Ropes
Using Monte Carlo simulations, we investigate the possibility of an
orientational melting transition within a "rope" of (10,10) carbon nanotubes.
When twisting nanotubes bundle up during the synthesis, orientational
dislocations or twistons arise from the competition between the anisotropic
inter-tube interactions, which tend to align neighboring tubes, and the torsion
rigidity that tends to keep individual tubes straight. We map the energetics of
a rope containing twistons onto a lattice gas model and find that the onset of
a free "diffusion" of twistons, corresponding to orientational melting, occurs
at T_OM > 160 K.Comment: 4 page LaTeX file with 3 figures (10 PostScript files
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