Buckling and d-Wave Pairing in HiTc-Superconductors

We have investigated whether the electron-phonon interaction can support a d-wave gap-anisotropy. On the basis of models derived from LDA calculations, as well as LDA linear-response calculations we argue that this is the case, for materials with buckled or dimpled CuO2 planes, for the so-called buckling modes, which involve out-of-plane movements of the plane oxygens.Comment: 5pages, Latex2e, 6 Postscript figure

First-principle Wannier functions and effective lattice fermion models for narrow-band compounds

We propose a systematic procedure for constructing effective lattice fermion models for narrow-band compounds on the basis of first-principles electronic structure calculations. The method is illustrated for the series of transition-metal (TM) oxides: SrVO$_3$, YTiO$_3$, V$_2$O$_3$, and Y$_2$Mo$_2$O$_7$. It consists of three parts, starting from LDA. (i) construction of the kinetic energy Hamiltonian using downfolding method. (ii) solution of an inverse problem and construction of the Wannier functions (WFs) for the given kinetic energy Hamiltonian. (iii) calculation of screened Coulomb interactions in the basis of \textit{auxiliary} WFs, for which the kinetic-energy term is set to be zero. The last step is necessary in order to avoid the double counting of the kinetic-energy term, which is included explicitly into the model. The screened Coulomb interactions are calculated in a hybrid scheme. First, we evaluate the screening caused by the change of occupation numbers and the relaxation of the LMTO basis functions, using the conventional constraint-LDA approach, where all matrix elements of hybridization involving the TM $d$ orbitals are set to be zero. Then, we switch on the hybridization and evaluate the screening associated with the change of this hybridization in RPA. The second channel of screening is very important, and results in a relatively small value of the effective Coulomb interaction for isolated $t_{2g}$ bands. We discuss details of this screening and consider its band-filling dependence, frequency dependence, influence of the lattice distortion, proximity of other bands, and the dimensionality of the model Hamiltonian.Comment: 35 pages, 25 figure

The origin of a1g_{1g} and eg_g' orderings in Nax_xCoO2_2

It has often been suggested that correlation effects suppress the small e_g' Fermi surface pockets of NaxCoO_2 that are predicted by LDA, but absent in ARPES measurements. It appears that within the dynamical mean field theory (DMFT) the ARPES can be reproduced only if the on-site energy of the eg' complex is lower than that of the a1g complex at the one-electron level, prior to the addition of local correlation effects. Current estimates regarding the order of the two orbital complexes range from -200 meV to 315 meV in therms of the energy difference. In this work, we perform density functional theory calculations of this one-electron splitting \Delta= \epsilon_a1g-\epsilon_e_g' for the full two-layer compound, Na2xCo2O4, accounting for the effects of Na ordering, interplanar interactions and octahedral distortion. We find that \epsilon a_1g-\epsilon e_g' is negative for all Na fillings and that this is primarily due to the strongly positive Coulomb field created by Na+ ions in the intercalant plane. This field disproportionately affects the a_1g orbital which protrudes farther upward from the Co plane than the e_g' orbitals. We discuss also the secondary effects of octahedral compression and multi-orbital filling on the value of \Delta as a function of Na content. Our results indicate that if the e_g' pockets are indeed suppressed that can only be due to nonlocal correlation effects beyond the standard DMFT.Comment: 4 pages, 3 figure

Competition between Electron-Phonon coupling and Spin Fluctuations in superconducting hole-doped BiOCuS

BiOCuS is a band insulator that becomes metallic upon hole doping. Superconductivity was recently reported in doped BiOCu$_{1-x}$S and attributed to spin fluctuations as a pairing mechanism. Based on first principles calculations of the electron-phonon coupling, we argue that the latter is very strong in this material, and probably drives superconductivity, which is however strongly depressed by the proximity to magnetism. We find however that BiOCu$_{1-x}$S is a quite unique compound where both a conventional phonon-driven and an unconventional triplet superconductivity are possible, and compete with each other. We argue that, in this material, it should be possible to switch from conventional to unconventional superconductivity by varying such parameters as doping or pressure

Is the Redshift Clustering of Long-Duration Gamma-Ray Bursts Significant?

The 26 long-duration gamma-ray bursts (GRBs) with known redshifts form a distinct cosmological set, selected differently than other cosmological probes such as quasars and galaxies. Since the progenitors are now believed to be connected with active star-formation and since burst emission penetrates dust, one hope is that with a uniformly-selected sample, the large-scale redshift distribution of GRBs can help constrain the star-formation history of the Universe. However, we show that strong observational biases in ground-based redshift discovery hamper a clean determination of the large-scale GRB rate and hence the connection of GRBs to the star formation history. We then focus on the properties of the small-scale (clustering) distribution of GRB redshifts. When corrected for heliocentric motion relative to the local Hubble flow, the observed redshifts appear to show a propensity for clustering: 8 of 26 GRBs occurred within a recession velocity difference of 1000 km/s of another GRB. That is, 4 pairs of GRBs occurred within 30 h_65^-1 Myr in cosmic time, despite being causally separated on the sky. We investigate the significance of this clustering. Comparison of the numbers of close redshift pairs expected from the simulation with that observed shows no significant small-scale clustering excess in the present sample; however, the four close pairs occur only in about twenty percent of the simulated datasets (the precise significance of the clustering is dependent upon the modeled biases). We conclude with some impetuses and suggestions for future precise GRB redshift measurements.Comment: Published in the Astronomical Journal, June 2003: see http://adsabs.harvard.edu/cgi-bin/nph-bib_query?bibcode=2003AJ....125.2865

Ultrabright Linearly Polarized Photon Generation from a Nitrogen Vacancy Center in a Nanocube Dimer Antenna

We demonstrate an exceptionally bright photon source based on a single nitrogen- vacancy center (NV-center) in a nanodiamond (ND), placed in the nanoscale gap between two monocrystalline silver cubes in a dimer configuration. The system is operated near saturation at a stable photon rate of 850 kcps, while we further achieve strongly polarized emission and high single photon purity, evident by the measured auto-correlation with a g(2)(0)-value of 0.08. These photon source features are key parameters for quantum technological applications, such as secure communication based on quantum key distribution. The cube antenna is assembled with an atomic force microscope, which allows us to predetermine the dipole orientation of the NV-center and optimize cube positioning accordingly, while also tracking the evolution of emission parameters from isolated ND to the 1 and 2 cube configuration. The experiment is well described by finite element modelling, assuming an instrinsic quantum efficiency of 0.35. We attribute the large photon rate of the assembled photon source, to increased quantum efficiency of the NV-center and high antenna efficiency

The prompt energy release of gamma-ray bursts using a cosmological k-correction

The fluences of gamma-ray bursts (GRBs) are measured with a variety of instruments in different detector energy ranges. A detailed comparison of the implied energy releases of the GRB sample requires, then, an accurate accounting of this diversity in fluence measurements which properly corrects for the redshifting of GRB spectra. Here, we develop a methodology to ``k-correct'' the implied prompt energy release of a GRB to a fixed co-moving bandpass. This allows us to homogenize the prompt energy release of 17 cosmological GRBs (using published redshifts, fluences, and spectra) to two common co-moving bandpasses: 20-2000 keV and 0.1 keV-10 MeV (``bolometric''). While the overall distribution of GRB energy releases does not change significantly by using a k-correction, we show that uncorrected energy estimates systematically undercounts the bolometric energy by ~5% to 600%, depending on the particular GRB. We find that the median bolometric isotropic-equivalent prompt energy release is 2.2 x 10^{53} erg with an r.m.s. scatter of 0.80 dex. The typical estimated uncertainty on a given k-corrected energy measurement is ~20%.Comment: Accepted to the Astronomical Journal. 21 pages (LaTeX) and 4 figure