9,335 research outputs found

    Age problem in holographic dark energy

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    We study the age problem of the universe with the holographic DE model introduced in [21], and test the model with some known old high redshift objects (OHRO). The parameters of the model have been constrained using the SNIa, CMB and BAO data set. We found that the age of the old quasar APM 08 279+5255 at z = 3.91 can be described by the model.Comment: 13 page

    Vibrational and Thermal Properties of ZnX (X=Se, Te): Density Functional Theory (LDA and GGA) versus Experiment

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    We calculated the phonon dispersion relations of ZnX (X=Se, Te) employing ab initio techniques. These relations have been used to evaluate the temperature dependence of the respective specific heats of crystals with varied isotopic compositions. These results have been compared with mea- surements performed on crystals down to 2 K. The calculated and measured data are generally in excellent agreement with each other. Trends in the phonon dispersion relations and the correspond- ing densities of states for the zinc chalcogenide series of zincblende-type materials are discussed.Comment: 10 pages, submitted to PR

    Electronic, vibrational, and thermodynamic properties of ZnS (zincblende and rocksalt structure)

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    We have measured the specific heat of zincblende ZnS for several isotopic compositions and over a broad temperature range (3 to 1100 K). We have compared these results with calculations based on ab initio electronic band structures, performed using both LDA and GGA exchange- correlation functionals. We have compared the lattice dynamics obtained in this manner with experimental data and have calculated the one-phonon and two-phonon densities of states. We have also calculated mode Grueneisen parameters at a number of high symmetry points of the Brillouin zone. The electronic part of our calculations has been used to investigate the effect of the 3d core electrons of zinc on the spin-orbit splitting of the top valence bands. The effect of these core electrons on the band structure of the rock salt modification of ZnS is also discussed.Comment: 33pages, 16 Figures, submitted to Phys. Rev.

    Effect of the spin-orbit interaction on the thermodynamic properties of crystals: The specific heat of bismuth

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    In recent years, there has been increasing interest in the specific heat CC of insulators and semiconductors because of the availability of samples with different isotopic masses and the possibility of performing \textit{ab initio} calculations of its temperature dependence C(T)C(T) using as a starting point the electronic band structure. Most of the crystals investigated are elemental (e.g., germanium) or binary (e.g., gallium nitride) semiconductors. The initial electronic calculations were performed in the local density approximation and did not include spin-orbit interaction. Agreement between experimental and calculated results was usually found to be good, except for crystals containing heavy atoms (e.g., PbS) for which discrepancies of the order of 20% existed at the low temperature maximum found for C/T3C/T^3. It has been conjectured that this discrepancies result from the neglect of spin-orbit interaction which is large for heavy atoms (Δ0\Delta_0\sim1.3eV for the pp valence electrons of atomic lead). Here we discuss measurements and \textit{ab initio} calculations of C(T)C(T) for crystalline bismuth (Δ0\Delta_0\sim1.7 eV), strictly speaking a semimetal but in the temperature region accessible to us (T>T > 2K) acting as a semiconductor. We extend experimental data available in the literature and notice that the \textit{ab initio} calculations without spin-orbit interaction exhibit a maximum at \sim8K, about 20% lower than the measured one. Inclusion of spin-orbit interaction decreases the discrepancy markedly: The maximum of C(T)C(T) is now only 7% larger than the measured one. Exact agreement is obtained if the spin-orbit hamiltonian is reduced by a factor of \sim0.8.Comment: 4 pages, 3 figure

    Lattice Properties of PbX (X = S, Se, Te): Experimental Studies and ab initio Calculations Including Spin-Orbit Effects

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    During the past five years the low temperature heat capacity of simple semiconductors and insulators has received renewed attention. Of particular interest has been its dependence on isotopic masses and the effect of spin- orbit coupling in ab initio calculations. Here we concentrate on the lead chalcogenides PbS, PbSe and PbTe. These materials, with rock salt structure, have different natural isotopes for both cations and anions, a fact that allows a systematic experimental and theoretical study of isotopic effects e.g. on the specific heat. Also, the large spin-orbit splitting of the 6p electrons of Pb and the 5p of Te allows, using a computer code which includes spin-orbit interaction, an investigation of the effect of this interaction on the phonon dispersion relations and the temperature dependence of the specific heat and on the lattice parameter. It is shown that agreement between measurements and calculations significantly improves when spin-orbit interaction is included.Comment: 25 pages, 12 Figures, 1 table, submitted to PR

    Electronic and phononic properties of the chalcopyrite CuGaS2

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    The availability of ab initio electronic calculations and the concomitant techniques for deriving the corresponding lattice dynamics have been profusely used for calculating thermodynamic and vibrational properties of semiconductors, as well as their dependence on isotopic masses. The latter have been compared with experimental data for elemental and binary semiconductors with different isotopic compositions. Here we present theoretical and experimental data for several vibronic and thermodynamic properties of CuGa2, a canonical ternary semiconductor of the chalcopyrite family. Among these properties are the lattice parameters, the phonon dispersion relations and densities of states (projected on the Cu, Ga, and S constituents), the specific heat and the volume thermal expansion coefficient. The calculations were performed with the ABINIT and VASP codes within the LDA approximation for exchange and correlation and the results are compared with data obtained on samples with the natural isotope composition for Cu, Ga and S, as well as for isotope enriched samples.Comment: 9 pages, 8 Figures, submitted to Phys. Rev

    Process model comparison based on cophenetic distance

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    The automated comparison of process models has received increasing attention in the last decade, due to the growing existence of process models and repositories, and the consequent need to assess similarities between the underlying processes. Current techniques for process model comparison are either structural (based on graph edit distances), or behavioural (through activity profiles or the analysis of the execution semantics). Accordingly, there is a gap between the quality of the information provided by these two families, i.e., structural techniques may be fast but inaccurate, whilst behavioural are accurate but complex. In this paper we present a novel technique, that is based on a well-known technique to compare labeled trees through the notion of Cophenetic distance. The technique lays between the two families of methods for comparing a process model: it has an structural nature, but can provide accurate information on the differences/similarities of two process models. The experimental evaluation on various benchmarks sets are reported, that position the proposed technique as a valuable tool for process model comparison.Peer ReviewedPostprint (author's final draft
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