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 $q=2k_F$ phonons respectively. In the armchair geometry, we verify that the electron-phonon coupling parameter $\lambda$ originates mainly from phonons at $q=2k_F$ 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.

Silicon and III-V compound nanotubes: structural and electronic properties

Unusual physical properties of single-wall carbon nanotubes have started a search for similar tubular structures of other elements. In this paper, we present a theoretical analysis of single-wall nanotubes of silicon and group III-V compounds. Starting from precursor graphene-like structures we investigated the stability, energetics and electronic structure of zigzag and armchair tubes using first-principles pseudopotential plane wave method and finite temperature ab-initio molecular dynamics calculations. We showed that (n,0) zigzag and (n,n) armchair nanotubes of silicon having n > 6 are stable but those with n < 6 can be stabilized by internal or external adsorption of transition metal elements. Some of these tubes have magnetic ground state leading to spintronic properties. We also examined the stability of nanotubes under radial and axial deformation. Owing to the weakness of radial restoring force, stable Si nanotubes are radially soft. Undeformed zigzag nanotubes are found to be metallic for 6 < n < 11 due to curvature effect; but a gap starts to open for n > 12. Furthermore, we identified stable tubular structures formed by stacking of Si polygons. We found AlP, GaAs, and GaN (8,0) single-wall nanotubes stable and semiconducting. Our results are compared with those of single-wall carbon nanotubes.Comment: 11 pages, 10 figure

Determination of the Intershell Conductance in Multiwalled Carbon Nanotubes

We report on the intershell electron transport in multiwalled carbon nanotubes (MWNT). To do this, local and nonlocal four-point measurements are used to study the current path through the different shells of a MWNT. For short electrode separations $\lesssim$ 1 $\mu$m the current mainly flows through the two outer shells, described by a resistive transmission line with an intershell conductance per length of ~(10 k\Omega)^{-1}/$\mu$m. The intershell transport is tunnel-type and the transmission is consistent with the estimate based on the overlap between $\pi$-orbitals of neighboring shells.Comment: 5 pages, 4 figure

Detecting Determinacy in Prolog Programs: 22nd International Conference, ICLP 2006, Seattle, WA, USA, August 17-20, 2006. Proceedings

In program development it is useful to know that a call to a Prolog program will not inadvertently leave a choice-point on the stack. Determinacy inference has been proposed for solving this problem yet the analysis was found to be wanting in that it could not infer determinacy conditions for programs that contained cuts or applied certain tests to select a clause. This paper shows how to remedy these serious deficiencies. It also addresses the problem of identifying those predicates which can be rewritten in a more deterministic fashion. To this end, a radically new form of determinacy inference is introduced, which is founded on ideas in ccp, that is capable of reasoning about the way bindings imposed by a rightmost goal can make a leftmost goal deterministic

Issues for the Next Generation of Galaxy Surveys

I argue that the weight of the available evidence favours the conclusions that galaxies are unbiased tracers of mass, the mean mass density (excluding a cosmological constant or its equivalent) is less than the critical Einstein-de Sitter value, and an isocurvature model for structure formation offers a viable and arguably attractive model for the early assembly of galaxies. If valid these conclusions complicate our work of adding structure formation to the standard model for cosmology, but it seems sensible to pay attention to evidence.Comment: 14 pages, 3 postscript figures, uses rspublic.st

On the Number of Unbordered Factors

We illustrate a general technique for enumerating factors of k-automatic sequences by proving a conjecture on the number f(n) of unbordered factors of the Thue-Morse sequence. We show that f(n) = 4 and that f(n) = n infinitely often. We also give examples of automatic sequences having exactly 2 unbordered factors of every length

Sodium atoms and clusters on graphite: a density functional study

Sodium atoms and clusters (N<5) on graphite (0001) are studied using density functional theory, pseudopotentials and periodic boundary conditions. A single Na atom is observed to bind at a hollow site 2.45 A above the surface with an adsorption energy of 0.51 eV. The small diffusion barrier of 0.06 eV indicates a flat potential energy surface. Increased Na coverage results in a weak adsorbate-substrate interaction, which is evident in the larger separation from the surface in the cases of Na_3, Na_4, Na_5, and the (2x2) Na overlayer. The binding is weak for Na_2, which has a full valence electron shell. The presence of substrate modifies the structures of Na_3, Na_4, and Na_5 significantly, and both Na_4 and Na_5 are distorted from planarity. The calculated formation energies suggest that clustering of atoms is energetically favorable, and that the open shell clusters (e.g. Na_3 and Na_5) can be more abundant on graphite than in the gas phase. Analysis of the lateral charge density distributions of Na and Na_3 shows a charge transfer of about 0.5 electrons in both cases.Comment: 20 pages, 6 figure

The Upper Crustal Evolution of a Large Silicic Magma Body: Evidence from Crystal-scale Rb-Sr Isotopic Heterogeneities in the Fish Canyon Magmatic System, Colorado

Batholith-sized bodies of crystal-rich magmatic ‘mush' are widely inferred to represent the hidden sources of many large-volume high-silica rhyolite eruptive units. Occasionally these mush bodies are ejected along with their trapped interstitial liquid, forming the distinctive crystal-rich ignimbrites known as ‘monotonous intermediates'. These ignimbrites are notable for their combination of high crystal contents (35-55%), dacitic bulk compositions with interstitial high-silica rhyolitic glass, and general lack of compositional zonation. The 5000 km3 Fish Canyon Tuff is an archetypal eruption deposit of this type, and is the largest known silicic eruption on Earth. Ejecta from the Fish Canyon magmatic system are notable for the limited compositional variation that they define on the basis of whole-rock chemistry, whereas ∼ 45 vol. % crystals in a matrix of high-silica rhyolite glass together span a large range of mineral-scale isotopic variability (microns to millimetres). Rb/Sr isotopic analyses of single crystals (sanidine, plagioclase, biotite, hornblende, apatite, titanite) and sampling by micromilling of selected zones within glass plus sanidine and plagioclase crystals document widespread isotopic disequilibrium at many scales. High and variable 87Sr/86Sri values for euhedral biotite grains cannot be explained by any model involving closed-system radiogenic ingrowth, and they are difficult to rationalize unless much of this radiogenic Sr has been introduced at a late stage via assimilation of local Proterozoic crust. Hornblende is the only phase that approaches isotopic equilibrium with the surrounding melt, but the melt (glass) was isotopically heterogeneous at the millimetre scale, and was therefore apparently contaminated with radiogenic Sr shortly prior to eruption. The other mineral phases (plagioclase, sanidine, titanite, and apatite) have significantly lower 87Sr/86Sri values than whole-rock values (as much as −0·0005). Such isotopic disequilibrium implies that feldspars, titanite and apatite are antecrysts that crystallized from less radiogenic melt compositions at earlier stages of magma evolution, whereas highly radiogenic biotite xenocrysts and the development of isotopic heterogeneity in matrix melt glass appear to coincide with the final stage of the evolution of the Fish Canyon magma body in the upper crust. Integrated petrographic and geochemical evidence is consistent with pre-eruptive thermal rejuvenation of a near-solidus mineral assemblage from ∼720 to 760°C (i.e. partial dissolution of feldspars + quartz while hornblende + titanite + biotite were crystallizing). Assimilation and blending of phenocrysts, antecrysts and xenocrysts reflects chamber-wide, low Reynolds number convection that occurred within the last ∼10 000 years before eruptio