769 research outputs found
Room temperature Peierls distortion in small radius nanotubes
By means of {\it ab initio} simulations, we investigate the phonon band
structure and electron-phonon coupling in small 4-\AA diameter nanotubes. We
show that both the C(5,0) and C(3,3) tubes undergo above room temperature a
Peierls transition mediated by an acoustical long-wavelength and an optical
phonons respectively. In the armchair geometry, we verify that the
electron-phonon coupling parameter originates mainly from phonons at
and is strongly enhanced when the diameter decreases. These results
question the origin of superconductivity in small diameter nanotubes.Comment: submitted 21oct2004 accepted 6jan2005 (Phys.Rev.Lett.
Short to long-range charge-transfer excitations in the zincbacteriochlorin-bacteriochlorin complex: a Bethe-Salpeter study
We study using the Bethe-Salpeter formalism the excitation energies of the
zincbacteriochlorinbacteriochlorin dyad, a paradigmatic photosynthetic complex.
In great contrast with standard timedependent density functional theory
calculations with (semi)local kernels, charge transfer excitations are
correctly located above the intramolecular Q-bands transitions found to be in
excellent agreement with experiment. Further, the asymptotic Coulomb behavior
towards the true quasiparticle gap for charge transfer excitations at long
distance is correctly reproduced, showing that the present scheme allows to
study with the same accuracy intramolecular and charge transfer excitations at
various spatial range and screening environment without any adjustable
parameter.Comment: 5 pages, 2 figures, 1 tabl
BN domains included into carbon nanotubes: role of interface
We present a density functional theory study on the shape and arrangement of
small BN domains embedded into single-walled carbon nanotubes. We show a strong
tendency for the BN hexagons formation at the simultaneous inclusion of B and N
atoms within the walls of carbon nanotubes. The work emphasizes the importance
of a correct description of the BN-C frontier. We suggest that BN-C interface
will be formed preferentially with the participation of N-C bonds. Thus, we
propose a new way of stabilizing the small BN inclusions through the formation
of nitrogen terminated borders. The comparison between the obtained results and
the available experimental data on formation of BN plackets within the single
walled carbon nanotubes is presented. The mirror situation of inclusion of
carbon plackets within single walled BN nanotubes is considered within the
proposed formalism. Finally, we show that the inclusion of small BN plackets
inside the CNTs strongly affects the electronic character of the initial
systems, opening a band gap. The nitrogen excess in the BN plackets introduces
donor states in the band gap and it might thus result in a promising way for
n-doping single walled carbon nanotubes
Stochastic Heterostructures in B/N-Doped Carbon Nanotubes
Carbon nanotubes are one-dimensional and very narrow. These obvious facts
imply that under doping with boron and nitrogen, microscopic doping
inhomogeneity is much more important than for bulk semiconductors. We consider
the possibility of exploiting such fluctuations to create interesting devices.
Using self-consistent tight-binding (SCTB), we study heavily doped highly
compensated nanotubes, revealing the spontaneous formation of structures
resembling chains of random quantum dots, or nano-scale diode-like elements in
series. We also consider truly isolated impurities, revealing simple scaling
properties of bound state sizes and energies.Comment: 4 pages RevTeX, 4 PostScript figure
Identification of Electron Donor States in N-doped Carbon Nanotubes
Nitrogen doped carbon nanotubes have been synthesized using pyrolysis and
characterized by Scanning Tunneling Spectroscopy and transmission electron
microscopy. The doped nanotubes are all metallic and exhibit strong electron
donor states near the Fermi level. Using tight-binding and ab initio
calculations, we observe that pyridine-like N structures are responsible for
the metallic behavior and the prominent features near the Fermi level. These
electron rich structures are the first example of n-type nanotubes, which could
pave the way to real molecular hetero-junction devices.Comment: 5 pages, 4 figures, revtex, submitted to PR
Sigma1 Targeting to Suppress Aberrant Androgen Receptor Signaling in Prostate Cancer.
Suppression of androgen receptor (AR) activity in prostate cancer by androgen depletion or direct AR antagonist treatment, although initially effective, leads to incurable castration-resistant prostate cancer (CRPC) via compensatory mechanisms including resurgence of AR and AR splice variant (ARV) signaling. Emerging evidence suggests that Sigma1 (also known as sigma-1 receptor) is a unique chaperone or scaffolding protein that contributes to cellular protein homeostasis. We reported previously that some Sigma1-selective small molecules can be used to pharmacologically modulate protein homeostasis pathways. We hypothesized that these Sigma1-mediated responses could be exploited to suppress AR protein levels and activity. Here we demonstrate that treatment with a small-molecule Sigma1 inhibitor prevented 5α- dihydrotestosterone-mediated nuclear translocation of AR and induced proteasomal degradation of AR and ARV, suppressing the transcriptional activity and protein levels of both full-length and splice-variant AR. Consistent with these data, RNAi knockdown of Sigma1 resulted in decreased AR levels and transcriptional activity. Furthermore, Sigma1 physically associated with ARV7 and A
Low Energy Properties of the (n,n) Carbon Nanotubes
According to band theory, an ideal undoped (n,n) carbon nanotube is metallic.
We show that the electron-electron interaction causes it to become Mott
insulating with a spin gap. More interestingly, upon doping it develops
superconducting fluctuations.Comment: 5pages, 2eps figures, one reference added, final version, accepted to
PR
Tunable adsorption on carbon nanotubes
We investigated the adsorption of a single atom, hydrogen and aluminum, on
single wall carbon nanotubes from first-principles. The adsorption is
exothermic, and the associated binding energy varies inversely as the radius of
the zigzag tube. We found that the adsorption of a single atom and related
properties can be modified continuously and reversibly by the external radial
deformation. The binding energy on the high curvature site of the deformed tube
increases with increasing radial deformation. The effects of curvature and
radial deformation depend on the chirality of the tube.Comment: To be appear in Physical Review Letter
The influence of distributed leadership on teachers' organizational commitment: a multilevel approach
In the present study the effects of a cooperative leadership team, distributed leadership, participative decision-making, and context variables on teachers' organizational commitment are investigated. Multilevel analyses on data from 1522 teachers indicated that 9% of the variance in teachers' organizational commitment is attributable to differences between schools. The analyses revealed that especially the presence of a cooperative leadership team and the amount of leadership support played a significantly positive key role in predicting teachers' organizational commitment. Also, participative decision-making and distribution of the supportive leadership function had a significant positive impact on teachers' organizational commitment. In contrast, distribution of the supervisory leadership function and teachers' job experience had a significant negative impact
Intersubband decay of 1-D exciton resonances in carbon nanotubes
We have studied intersubband decay of E22 excitons in semiconducting carbon
nanotubes experimentally and theoretically. Photoluminescence excitation line
widths of semiconducting nanotubes with chiral indicess (n, m) can be mapped
onto a connectivity grid with curves of constant (n-m) and (2n+m). Moreover,
the global behavior of E22 linewidths is best characterized by a strong
increase with energy irrespective of their (n-m) mod(3)= \pm 1 family
affiliation. Solution of the Bethe-Salpeter equations shows that the E22
linewidths are dominated by phonon assisted coupling to higher momentum states
of the E11 and E12 exciton bands. The calculations also suggest that the
branching ratio for decay into exciton bands vs free carrier bands,
respectively is about 10:1.Comment: 4 pages, 4 figure
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