Role of c-axis pairs in V2O3 from the band-structure point of view

The common interpretation of the LDA band structure of V$_{2}$O$_{3}$ is that the apparent splitting of the $a_{1g}$ band into a low intensity structure deep below the Fermi energy and a high intensity feature above it, is due to the bonding-antibonding coupling of the vertical V-V pair. Using tight-binding fitting to --as well as first-principles NMTO downfolding of-- the spin-up LDA+U $a_{1g}$ band, we show that there are other hopping integrals which are equally important for the band shape as the integral for hopping between the partners of the pair

First principle computation of stripes in cuprates

We present a first principle computation of vertical stripes in $La_{15/8}Sr_{1/8}CuO_4$ within the LDA+U method. We find that Cu centered stripes are unstable toward O centered stripes. The metallic core of the stripe is quite wide and shows reduced magnetic moments with suppressed antiferromagnetic (AF) interactions. The system can be pictured as alternating metallic and AF two-leg ladders the latter with strong AF interaction and a large spin gap. The Fermi surface shows warping due to interstripe hybridization. The periodicity and amplitude of the warping is in good agreement with angle resolved photoemission experiment. We discuss the connection with low-energy theories of the cuprates.Comment: 5 pages,4 figure

NLTE determination of the sodium abundance in a homogeneous sample of extremely metal-poor stars

Abundance ratios in extremely metal-poor (EMP) stars are a good indication of the chemical composition of the gas in the earliest phases of the Galaxy evolution. It had been found from an LTE analysis that at low metallicity, and in contrast with most of the other elements, the scatter of [Na/Fe] versus [Fe/H] was surprisingly large and that, in giants, [Na/Fe] decreased with metallicity. Since it is well known that the formation of sodium lines is very sensitive to non-LTE effects, to firmly establish the behaviour of the sodium abundance in the early Galaxy, we have used high quality observations of a sample of EMP stars obtained with UVES at the VLT, and we have taken into account the non-LTE line formation of sodium. The profiles of the two resonant sodium D lines (only these sodium lines are detectable in the spectra of EMP stars) have been computed in a sample of 54 EMP giants and turn-off stars (33 of them with [Fe/H]< -3.0) with a modified version of the code MULTI, and compared to the observed spectra. With these new determinations in the range -4 <[Fe/H]< -2.5, both [Na/Fe] and [Na/Mg] are almost constant with a low scatter. In the turn-off stars and "unmixed" giants (located in the low RGB): [Na/Fe] = -0.21 +/- 0.13 or [Na/Mg] = -0.45 +/- 0.16. These values are in good agreement with the recent determinations of [Na/Fe] and [Na/Mg] in nearby metal-poor stars. Moreover we confirm that all the sodium-rich stars are "mixed" stars (i.e., giants located after the bump, which have undergone an extra mixing). None of the turn-off stars is sodium-rich. As a consequence it is probable that the sodium enhancement observed in some mixed giants is the result of a deep mixing.Comment: 8 pages, 9 figures; accepted for publication in A&

On the correlation of elemental abundances with kinematics among galactic disk stars

We have performed the detailed analysis of 174 high-resolution spectra of FGK dwarfs obtained with the ELODIE echelle spectrograph at the Observatoire de Haute-Provence. Abundances of Fe, Si and Ni have been determined from equivalent widths under LTE approximation, whereas abundances of Mg have been determined under NLTE approximation using equivalent widths of 4 lines and profiles of 5 lines. Spatial velocities with an accuracy better than 1 km/s, as well as orbits, have been computed for all stars. They have been used to define 2 subsamples kinematically representative of the thin disk and the thick disk in order to highlight their respective properties. A transition occurs at [Fe/H]=-0.3. Stars more metal-rich than this value have a flat distribution with Zmax<1 kpc and sigma_W<20 km/s, and a narrow distribution of [alpha/Fe]. There exist stars in this metallicity regime which cannot belong to the thin disk because of their excentric orbits, neither to the thick disk because of their low scale height. Several thin disk stars are identified down to [Fe/H]=-0.80. Their Mg enrichment is lower than thick disk stars with the same metallicity. We confirm from a larger sample the results of Feltzing et al (2003) and Bensby et al (2003) showing a decrease of [alpha/Fe] with [Fe/H] in the thick disk interpreted as the signature of the SNIa which have progressively enriched the ISM with iron. However our data suggest that the star formation in the thick disk stopped when the enrichment was [Fe/H]=-0.30, [Mg/Fe]=+0.20, [Si/Fe]=+0.17. A vertical gradient in [alpha/Fe] may exist in the thick disk but should be confirmed with a larger sample. Finally we have identified 2 new candidates of the HR1614 moving group.Comment: Accepted in A&A, 16 pages, 14 figure

Barium and Yttrium abundance in intermediate-age and old open clusters

Barium is a neutron capture element, that, in open clusters, is frequently over-abundant with respect to the Iron. A clear explanation for this is still missing. Additionally, its gradient across the Galactic disk is poorly constrained. We measure the abundance of yttrium and barium using the synthetic spectrum method from UVES high-resolution spectra of eight distant open clusters, namely Ruprecht 4, Ruprecht 7, Berkeley 25, Berkeley 73, Berkeley 75, NGC 6192, NGC 6404, and NGC 6583. The barium abundance was estimated using NLTE approximation. We confirm that Barium is indeed over-abundant in most clusters, especially young clusters. Finally, we investigated the trend of yttrium and barium abundances as a function of distance in the Galaxy and ages. Several scenarios for the barium over-abundance are then discussed.Comment: 9 pages, 10 figure

High-resolution abundance analysis of HD 140283

HD 140283 is a reference subgiant that is metal poor and confirmed to be a very old star. The abundances of this type of old star can constrain the nature and nucleosynthesis processes that occurred in its (even older) progenitors. The present study may shed light on nucleosynthesis processes yielding heavy elements early in the Galaxy. A detailed abundance analysis of a high-quality spectrum is carried out, with the intent of providing a reference on stellar lines and abundances of a very old, metal-poor subgiant. We aim to derive abundances from most available and measurable spectral lines. The analysis is carried out using high-resolution (R = 81 000) and high signal-to-noise ratio (800 < S/N/pixel < 3400) spectrum, in the wavelength range 3700 - 10475, obtained with a seven-hour exposure time, using the ESPaDOnS at the CFHT. The calculations in LTE were performed with the OSMARCS 1D atmospheric model and the spectrum synthesis code Turbospectrum, while the analysis in NLTE is based on the MULTI code. We present LTE abundances for 26 elements, and NLTE calculations for the species C I, O I, Na I, Mg I, Al I, K I, Ca I, Sr II, and Ba II lines. The abundance analysis provided an extensive line list suitable for metal-poor subgiant stars. The results for Li, CNO, alpha-, and iron peak elements are in good agreement with literature. The newly NLTE Ba abundance, along with a NLTE Eu correction and a 3D Ba correction from literature, leads to [Eu/Ba] = +0.59 +/- 0.18. This result confirms a dominant r-process contribution, possibly together with a very small contribution from the main s-process, to the neutron-capture elements in HD 140283. Overabundances of the lighter heavy elements and the high abundances derived for Ba, La, and Ce favour the operation of the weak r-process in HD 140283.Comment: 34 pages, 27 figure