Nomenclature for the C60-Ih and C70-D5h(6) fullerenes (IUPAC Recommendations 2002)

Fullerenes are a new allotrope of carbon characterized by a closed-cage structure consisting of an even number of three-coordinate carbon atoms devoid of hydrogen atoms. This class was originally limited to closed-cage structures with 12 isolated five-membered rings, the rest being six-membered rings. Although it was recognized that existing organic ring nomenclature could be used for these structures, the resulting names would be extremely unwieldy and inconvenient for use. At the same time it was also recognized that established organic nomenclature principles could be used, or adapted, to provide a consistent nomenclature for this unique class of compounds based on the class name fullerene. However, it was necessary to develop an entirely new method for uniquely numbering closed-cage systems. This paper describes IUPAC recommendations for naming and uniquely numbering the two most common fullerenes with isolated pentagons, the icosahedral C60 fullerene and a D5h-C70 fullerene. It also describes recommendations for adapting organic nomenclature principles for naming fullerenes with nonclosed-cage structures, heterofullerenes, derivatives formed by substitution of hydrofullerenes, and the fusion of organic rings or ring systems to the fullerene cage. Finally, this paper suggests methods for describing structures consisting of two or more fullerene units and for denoting configurations of chiral fullerenes and their derivative

S and D Wave Mixing in High TcT_c Superconductors

For a tight binding model with nearest neighbour attraction and a small orthorhombic distortion, we find a phase diagram for the gap at zero temperature which includes three distinct regions as a function of filling. In the first, the gap is a mixture of mainly $d$-wave with a smaller extended $s$-wave part. This is followed by a region in which there is a rapid increase in the $s$-wave part accompanied by a rapid increase in relative phase between $s$ and $d$ from 0 to $\pi$. Finally, there is a region of dominant $s$ with a mixture of $d$ and zero phase. In the mixed region with a finite phase, the $s$-wave part of the gap can show a sudden increase with decreasing temperature accompanied with a rapid increase in phase which shows many of the characteristics measured in the angular resolved photoemission experiments of Ma {\em et al.} in $\rm Bi_2Sr_2CaCu_2O_8$Comment: 12 pages, RevTeX 3.0, 3 PostScript figures uuencoded and compresse

Spectral function of the 1D Hubbard model in the U→+∞U\to +\infty limit

We show that the one-particle spectral functions of the one-dimensional Hubbard model diverge at the Fermi energy like $|\omega-\varepsilon_F|^{-3/8}$ in the $U\to +\infty$ limit. The Luttinger liquid behaviour $|\omega-\varepsilon_F|^\alpha$, where $\alpha \to 1/8$ as $U\to +\infty$, should be limited to $|\omega-\varepsilon_F| \sim t^2/U$ (for $U$ large but finite), which shrinks to a single point, $\omega=\varepsilon_F$,in that limit. The consequences for the observation of the Luttinger liquid behaviour in photoemission and inverse photoemission experiments are discussed.Comment: 4 pages, RevTeX, 2 figures on reques

Optimization of overlap uniformness for ptychography

We demonstrate the advantages of imaging with ptychography scans that follow a Fermat spiral trajectory. This scan pattern provides a more uniform coverage and a higher overlap ratio with the same number of scan points over the same area than the presently used mesh and concentric [13] patterns. Under realistically imperfect measurement conditions, numerical simulations show that the quality of the reconstructed image is improved significantly with a Fermat spiral compared with a concentric scan pattern. The result is confirmed by the performance enhancement with experimental data, especially under low-overlap conditions. These results suggest that the Fermat spiral pattern increases the quality of the reconstructed image and tolerance to data with imperfections

Interpretation of Photoemission Spectra of (TaSe4)2I as Evidence of Charge Density Wave Fluctuations

The competition between different and unusual effects in quasi-one-dimensional conductors makes the direct interpretation of experimental measurements of these materials both difficult and interesting. We consider evidence for the existence of large charge-density-wave fluctuations in the conducting phase of the Peierls insulator (TaSe4)2I, by comparing the predictions of a simple Lee, Rice and Anderson theory for such a system with recent angle-resolved photoemission spectra. The agreement obtained suggests that many of the unusual features of these spectra may be explained in this way. This view of the system is contrasted with the behaviour expected of a Luttinger liquid.Comment: Archive copy of published paper. 19 pages, 12 figures, uses IOP macro

Microscopic theory of the pseudogap and Peierls transition in quasi-one-dimensional materials

The problem of deriving from microscopic theory a Ginzburg-Landau free energy functional to describe the Peierls or charge-density-wave transition in quasi-one-dimensional materials is considered. Particular attention is given to how the thermal lattice motion affects the electronic states. Near the transition temperature the thermal lattice motion produces a pseudogap in the density of states at the Fermi level. Perturbation theory diverges and the traditional quasi-particle or Fermi liquid picture breaks down. The pseudogap causes a significant modification of the coefficients in the Ginzburg-Landau functional from their values in the rigid lattice approximation, which neglects the effect of the thermal lattice motion. To appear in Physical Review B.Comment: 21 pages, RevTeX, 5 figures in uuencoded compressed tar fil

Critical Properties of Spectral Functions for the 1D Anisotropic t-J Models with an Energy Gap

We exactly calculate the momentum-dependent critical exponents for spectral functions in the one-dimensional anisotropic t-J models with a gap either in the spin or charge excitation spectrum. Our approach is based on the Bethe ansatz technique combined with finite-size scaling techniques in conformal field theory. It is found that the spectral functions show a power-law singularity, which occurs at frequencies determined by the dispersion of a massive spin (or charge) excitation.We discuss how the nontrivial contribution of a massive excitation controls the singular behavior in optical response functions.Comment: 4 pages, REVTeX, 2 figures(available upon request), accepted for publication in JPSJ 66 (1997) No.

Critical Properties in Photoemmision Spectra for One Dimensional Orbitally Degenerate Mott Insulator

Critical properties in photoemission spectra for the one-dimensional Mott insulator with orbital degeneracy are studied by exploiting the integrable {\it t-J} model, which is a supersymmetric generalization of the SU($n$) degenerate spin model. We discuss the critical properties for the holon dispersion as well as the spinon dispersions, by applying the conformal field theory analysis to the exact finite-size energy spectrum. We study the effect of orbital-splitting on the spectra by evaluating the momentum-dependent critical exponents.Comment: 8 pages, REVTeX, 2 figures(available upon request), accepted for publication in JPSJ 68 (1999) No.

Spectral functions of the 1D Hubbard model in the U -> \infty limit: How to use the factorized wave-function

We give the details of the calculation of the spectral functions of the 1D Hubbard model using the spin-charge factorized wave-function for several versions of the U -> +\infty limit. The spectral functions are expressed as a convolution of charge and spin dynamical correlation functions. A procedure to evaluate these correlation functions very accurately for large systems is developed, and analytical results are presented for the low energy region. These results are fully consistent with the conformal field theory. We also propose a direct method of extracting the exponents from the matrix elements in more general cases.Comment: 15 pages,7 eps figures, RevTeX, needs epsf and multico

Surface characterization and surface electronic structure of organic quasi-one-dimensional charge transfer salts

We have thoroughly characterized the surfaces of the organic charge-transfer salts TTF-TCNQ and (TMTSF)2PF6 which are generally acknowledged as prototypical examples of one-dimensional conductors. In particular x-ray induced photoemission spectroscopy turns out to be a valuable non-destructive diagnostic tool. We show that the observation of generic one-dimensional signatures in photoemission spectra of the valence band close to the Fermi level can be strongly affected by surface effects. Especially, great care must be exercised taking evidence for an unusual one-dimensional many-body state exclusively from the observation of a pseudogap.Comment: 11 pages, 12 figures, v2: minor changes in text and figure labellin