294 research outputs found
Evidence for distinct polymer chain orientations in KC60 and RbC60
The KC60 and RbC60 polymer phases exhibit contrasting electronic properties
while powder diffraction studies have revealed no definite structural
difference. We have performed single crystal X-ray diffraction and diffuse
scattering studies of these compounds. It is found that KC60 and RbC60 possess
different chain orientations about their axes, which are described by distinct
space groups Pmnn and I2/m, respectively. Such a structural difference will be
of great importance to a complete understanding of the physical properties.Comment: To be published in Phys. Rev. Let
On the diffraction pattern of C60 peapods
We present detailed calculations of the diffraction pattern of a powder of
bundles of C peapods. The influence of all pertinent structural
parameters of the bundles on the diffraction diagram is discussed, which should
lead to a better interpretation of X-ray and neutron diffraction diagrams. We
illustrate our formalism for X-ray scattering experiments performed on peapod
samples synthesized from 2 different technics, which present different
structural parameters. We propose and test different criteria to solve the
difficult problem of the filling rate determination.Comment: Sumitted 19 May 200
Theory of Distinct Crystal Structures of Polymerized Fullerides AC60, A=K, Rb, Cs: the Specific Role of Alkalis
The polymer phases of AC60 form distinct crystal structures characterized by
the mutual orientations of the (C60-)n chains. We show that the direct electric
quadrupole interaction between chains always favors the orthorhombic structure
Pmnn with alternating chain orientations. However the specific quadrupolar
polarizability of the alkali metal ions leads to an indirect interchain
coupling which favors the monoclinic structure I2/m with equal chain
orientations. The competition between direct and indirect interactions explains
the structural difference between KC60 and RbC60, CsC60.Comment: 4 pages, 2 figures, 1 tabl
Carbon Nanotubes Synthesized in Channels of Alpo4-5 Single Crystals : First X-Ray Scattering Investigations
Following the synthesis of aligned single-wall carbon nanotubes in the
channels of AlPO4-5 zeolite single crystals, we present the first X-ray
diffraction and diffuse scattering results. They can be analysed in terms of a
partial filling of the zeolite channels by nanotubes with diameter around 4A.
The possible selection of only one type of nanotube during the synthesis, due
to the constraints imposed by the zeolite host, is discussed.Comment: to appear in Solid State Com
Two-Stage Rotational Disordering of a Molecular Crystal Surface: C60
We propose a two-stage mechanism for the rotational surface disordering phase
transition of a molecular crystal, as realized in C fullerite. Our
study, based on Monte Carlo simulations, uncovers the existence of a new
intermediate regime, between a low temperature ordered state,
and a high temperature disordered phase. In the intermediate
regime there is partial disorder, strongest for a subset of particularly
frustrated surface molecules. These concepts and calculations provide a
coherent understanding of experimental observations, with possible extension to
other molecular crystal surfaces.Comment: 4 pages, 2 figure
On the Semi-centre of a Poisson Algebra
If g is a Lie algebra then the semi-centre of the Poisson algebra S(g) is the subalgebra generated by ad(g) -eigenvectors. In this paper we abstract this definition to the context of integral Poisson algebras. We identify necessary and sufficient conditions for the Poisson semi-centre Asc to be a Poisson algebra graded by its weight spaces. In that situation we show the Poisson semi-centre exhibits many nice properties: the rational Casimirs are quotients of Poisson normal elements and the Poisson Dixmier–Mœglin equivalence holds for Asc
Gaps and excitations in fullerides with partially filled bands : NMR study of Na2C60 and K4C60
We present an NMR study of Na2C60 and K4C60, two compounds that are related
by electron-hole symmetry in the C60 triply degenerate conduction band. In both
systems, it is known that NMR spin-lattice relaxation rate (1/T1) measurements
detect a gap in the electronic structure, most likely related to
singlet-triplet excitations of the Jahn-Teller distorted (JTD) C60^{2-} or
C60^{4-}. However, the extended temperature range of the measurements presented
here (10 K to 700 K) allows to reveal deviations with respect to this general
trend, both at high and low temperatures. Above room temperature, 1/T1 deviates
from the activated law that one would expect from the presence of the gap and
saturates. In the same temperature range, a lowering of symmetry is detected in
Na2C60 by the appearance of quadrupole effects on the 23Na spectra. In K4C60,
modifications of the 13C spectra lineshapes also indicate a structural
modification. We discuss this high temperature deviation in terms of a coupling
between JTD and local symmetry. At low temperatures, 1/TT tends to a
constant value for Na2C60, both for 13C and 23Na NMR. This indicates a residual
metallic character, which emphasizes the proximity of metallic and insulting
behaviors in alkali fullerides.Comment: 12 pages, 13 figure
Nanoelectromechanical coupling in fullerene peapods probed via resonant electrical transport experiments
Fullerene peapods, that is carbon nanotubes encapsulating fullerene
molecules, can offer enhanced functionality with respect to empty nanotubes.
However, the present incomplete understanding of how a nanotube is affected by
entrapped fullerenes is an obstacle for peapods to reach their full potential
in nanoscale electronic applications. Here, we investigate the effect of C60
fullerenes on electron transport via peapod quantum dots. Compared to empty
nanotubes, we find an abnormal temperature dependence of Coulomb blockade
oscillations, indicating the presence of a nanoelectromechanical coupling
between electronic states of the nanotube and mechanical vibrations of the
fullerenes. This provides a method to detect the C60 presence and to probe the
interplay between electrical and mechanical excitations in peapods, which thus
emerge as a new class of nanoelectromechanical systems.Comment: 7 pages, 3 figures. Published in Nature Communications. Free online
access to the published version until Sept 30th, 2010, see
http://www.nature.com/ncomms/journal/v1/n4/abs/ncomms1034.htm
Far-infrared vibrational properties of linear C60 polymers: A comparison between neutral and charged materials
We report the far-infrared transmittance spectrum of a pure phase of the orthorhombic high-temperature and high-pressure C-60 polymer and compare the results with a previously published spectrum of the charged RbC60 orthorhombic polymer. Assignments for both spectra are made with the aid of first-principles quantum molecular dynamics simulations of the two materials. We find that the striking spectral differences between the neutral and charged linear fullerene polymers can be fully accounted for by charge effects on the C-60 ball
Far-infrared vibrational properties of high-pressure-high-temperature C60 polymers and the C60 dimer
We report high-resolution far-infrared transmission measurements of the 2 + 2 cycloaddition C-60 dimer and two-dimensional rhombohedral and one-dimensional orthorhombic high-pressure high-temperature C60 polymers. In the spectral region investigated(20-650 cm(-1)), we see no low-energy interball modes, but symmetry breaking of the linked C-60 balls is evident in the complex spectrum of intramolecular modes. Experimental features suggest large splittings or frequency shifts of some IhC60-derived modes that are activated by symmetry reduction, implying that the balls are strongly distorted in these structures. We have calculated the vibrations of all three systems by first-principles quantum molecular dynamics and use them to assign the predominant IhC60 symmetries of observed modes. Pur calculations show unprecedentedly large downshifts of T-1u(2)-derived modes and extremely large splittings of other modes, both of which are consistent with the experimental spectra. For the rhombohedral and orthorhombic polymers, the T-1u(2)-derived mode that is polarized along the bonding direction is calculated to downshift below any T-1u(1)-derived modes. We also identify a previously unassigned feature near 610 cm(-1) in all three systems as a widely split or shifted mode derived from various silent IhC60 vibrations, confirming a strong perturbation model for these linked fullerene structures
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