Role of electronic correlations in the Fermi surface formation of Nax_xCoO2_2

Band structure of metallic sodium cobaltate Na$_x$CoO$_2$ ($x$=0.33, 0.48, 0.61 0.72) has been investigated by local density approximation+Hubbard $U$ (LDA+$U$) method and within Gutzwiller approximation for the Co-$t_{2g}$ manifold. Correlation effects being taken into account results in suppression of the $e'_g$ hole pockets at the Fermi surface in agreement with recent angle-resolved photo-emission spectroscopy (ARPES) experiments. In the Gutzwiller approximation the bilayer splitting is significantly reduced due to the correlation effects. The formation of high spin (HS) state in Co $d$-shell was shown to be very improbable.Comment: 6 pages, 2 figure

Do crossover functions depend on the shape of the interaction profile?

We examine the crossover from classical to non-classical critical behaviour in two-dimensional systems with a one-component order parameter. Since the degree of universality of the corresponding crossover functions is still subject to debate, we try to induce non-universal effects by adding interactions with a second length scale. Although the crossover functions clearly depend on the range of the interactions, they turn out to be remarkably robust against further variation of the interaction profile. In particular, we find that the earlier observed non-monotonic crossover of the effective susceptibility exponent occurs for several qualitatively different shapes of this profile.Comment: 7 pages + 4 PostScript figures. Accepted for publication in Europhysics Letters. Also available as PDF file at http://www.cond-mat.physik.uni-mainz.de/~luijten/erikpubs.htm

First-principles Calculations of the Electronic Structure and Spectra of Strongly Correlated Systems: Dynamical Mean-field Theory

A recently developed dynamical mean-field theory in the iterated perturbation theory approximation was used as a basis for construction of the "first principles" calculation scheme for investigating electronic structure of strongly correlated electron systems. This scheme is based on Local Density Approximation (LDA) in the framework of the Linearized Muffin-Tin-Orbitals (LMTO) method. The classical example of the doped Mott-insulator La_{1-x}Sr_xTiO_3 was studied by the new method and the results showed qualitative improvement in agreement with experimental photoemission spectra.Comment: 11 pages, 3 Postscript figures, LaTeX, submit in Journal of Physics: Condensed Matte