Electron correlations in a C20_{20} fullerene cluster: A lattice density-functional study of the Hubbard model

The ground-state properties of C$_{20}$ fullerene clusters are determined in the framework of the Hubbard model by using lattice density-functional theory (LDFT) and scaling approximations to the interaction-energy functional. Results are given for the ground-state energy, kinetic and Coulomb energies, local magnetic moments, and charge-excitation gap, as a function of the Coulomb repulsion $U/t$ and for electron or hole doping $\delta$ close half-band filling ($|\delta| \le 1$). The role of electron correlations is analyzed by comparing the LDFT results with fully unrestricted Hartree-Fock (UHF) calculations which take into account possible noncollinear arrangements of the local spin-polarizations. The consequences of the spin-density-wave symmetry breaking, often found in UHF, and the implications of this study for more complex fullerene structures are discussed.Comment: 18 pages, 7 figures, Submitted to PR

Do product market regulations in upstream sectors curb productivity growth? Panel data evidence for OECD countries

The paper focuses on the influence of upstream competition for productivity outcomes in downstream sectors. This relation is illustrated with a neo-Schumpeterian theoretical model of innovation (Aghion et al., 1997) with market imperfections in the production of intermediate goods. In this context, upstream market imperfections create barriers to competition in downstream markets and upstream producers use their market power to share innovation rents sought by downstream firms. Thus, lack of competition in upstream markets curbs incentives to improve productivity downstream, negatively affecting productivity outcomes. We test this prediction by estimating an error correction model that differentiates the potential downstream effects of lack of upstream competition in situations close and far from the global technological frontier. We measure competition upstream with regulatory burden indicators derived from OECD data on sectoral product market regulation and the industry-level efficiency improvement and the distance to frontier variables by means of a multifactor productivity (MFP) index. Panel regressions are run for 15 OECD countries and 20 sectors over the 1985-2007 period with country, sector and year fixed effects. We find clear evidence that anticompetitive regulations in upstream sectors have curbed MFP growth downstream over the past 15 years. These effects tend to be strongest for observations (i.e. country/sector/period triads) that are close to the global technological frontier. Our results suggest that, measured at the average distance to frontier and average level of anticompetitive regulations, the marginal effect of increasing competition by easing such regulations is to increase MFP growth by between 1 and 1.5 per cent per year in the OECD countries covered by our sample. Our results are robust to changes in the way MFP and the regulatory burden indicators are constructed, as well as to variations in the sample of countries and/or sectors.Productivity, Growth, Regulations, Competition, Catch-up.

Wannier-based calculation of the orbital magnetization in crystals

We present a first-principles scheme that allows the orbital magnetization of a magnetic crystal to be evaluated accurately and efficiently even in the presence of complex Fermi surfaces. Starting from an initial electronic-structure calculation with a coarse ab initio k-point mesh, maximally localized Wannier functions are constructed and used to interpolate the necessary k-space quantities on a fine mesh, in parallel to a previously-developed formalism for the anomalous Hall conductivity [X.Wang, J. Yates, I. Souza, and D. Vanderbilt, Phys. Rev. B 74, 195118 (2006)]. We formulate our new approach in a manifestly gauge-invariant manner, expressing the orbital magnetization in terms of traces over matrices in Wannier space. Since only a few (e.g., of the order of 20) Wannier functions are typically needed to describe the occupied and partially occupied bands, these Wannier matrices are small, which makes the interpolation itself very efficient. The method has been used to calculate the orbital magnetization of bcc Fe, hcp Co, and fcc Ni. Unlike an approximate calculation based on integrating orbital currents inside atomic spheres, our results nicely reproduce the experimentally measured ordering of the orbital magnetization in these three materials.Comment: 13 pages, 3 figures, 4 table

HD 85567: A Herbig B[e] star or an interacting B[e] binary

Context. HD 85567 is an enigmatic object exhibiting the B[e] phenomenon, i.e. an infrared excess and forbidden emission lines in the optical. The object's evolutionary status is uncertain and there are conflicting claims that it is either a young stellar object or an evolved, interacting binary. Aims. To elucidate the reason for the B[e] behaviour of HD 85567, we have observed it with the VLTI and AMBER. Methods. Our observations were conducted in the K-band with moderate spectral resolution (R~1500, i.e. 200 km/s). The spectrum of HD 85567 exhibits Br gamma and CO overtone bandhead emission. The interferometric data obtained consist of spectrally dispersed visibilities, closure phases and differential phases across these spectral features and the K-band continuum. Results. The closure phase observations do not reveal evidence of asymmetry. The apparent size of HD 85567 in the K-band was determined by fitting the visibilities with a ring model. The best fitting radius, 0.8 +/- 0.3 AU, is relatively small making HD 85567 undersized in comparison to the size-luminosity relationship based on YSOs of low and intermediate luminosity. This has previously been found to be the case for luminous YSOs, and it has been proposed that this is due to the presence of an optically thick gaseous disc. We demonstrate that the differential phase observations over the CO bandhead emission are indeed consistent with the presence of a compact (~1 AU) gaseous disc interior to the dust sublimation radius. Conclusions. The observations reveal no sign of binarity. However, the data do indicate the presence of a gaseous disc interior to the dust sublimation radius. We conclude that the data are consistent with the hypothesis that HD 85567 is a YSO with an optically thick gaseous disc within a larger dust disc that is being photo-evaporated from the outer edge.Comment: Accepted for publication in A &

New Precision Electroweak Tests of SU(5) x U(1) Supergravity

We explore the one-loop electroweak radiative corrections in $SU(5)\times U(1)$ supergravity via explicit calculation of vacuum-polarization and vertex-correction contributions to the $\epsilon_1$ and $\epsilon_b$ parameters. Experimentally, these parameters are obtained from a global fit to the set of observables $\Gamma_{l}, \Gamma_{b}, A^{l}_{FB}$, and $M_W/M_Z$. We include $q^2$-dependent effects, which induce a large systematic negative shift on $\epsilon_{1}$ for light chargino masses (m_{\chi^\pm_1}\lsim70\GeV). The (non-oblique) supersymmetric vertex corrections to \Zbb, which define the $\epsilon_b$ parameter, show a significant positive shift for light chargino masses, which for $\tan\beta\approx2$ can be nearly compensated by a negative shift from the charged Higgs contribution. We conclude that at the 90\%CL, for m_t\lsim160\GeV the present experimental values of $\epsilon_1$ and $\epsilon_b$ do not constrain in any way $SU(5)\times U(1)$ supergravity in both no-scale and dilaton scenarios. On the other hand, for m_t\gsim160\GeV the constraints on the parameter space become increasingly stricter. We demonstrate this trend with a study of the m_t=170\GeV case, where only a small region of parameter space, with \tan\beta\gsim4, remains allowed and corresponds to light chargino masses (m_{\chi^\pm_1}\lsim70\GeV). Thus $SU(5)\times U(1)$ supergravity combined with high-precision LEP data would suggest the presence of light charginos if the top quark is not detected at the Tevatron.Comment: LaTeX, 11 Pages+4 Figures(not included), the figures available upon request as an uuencoded file(0.4MB) or 4 PS files from [email protected], CERN-TH.7078/93, CTP-TAMU-68/93, ACT-24/9