Boron and nitrogen impurities in SiC nanoribbons: an ab initio investigation

Using ab initio calculations based on density-functional theory we have performed a theoretical investigation of substitutional boron and nitrogen impurities in silicon carbide (SiC) nanoribbons. We have considered hydrogen terminated SiC ribbons with zigzag and armchair edges. In both systems we verify that the boron and nitrogen atoms energetically prefer to be localized at the edges of the nanoribbons. However, while boron preferentially substitutes a silicon atom, nitrogen prefers to occupy a carbon site. In addition, our electronic-structure calculations indicate that (i) substitutional boron and nitrogen impurities do not affect the semiconducting character of the armchair SiC nanoribbons, and (ii) the half-metallic behavior of the zigzag nanoribbons is maintained in the presence of substitutional boron impurities. In contrast, nitrogen atoms occupying edge carbon sites transform half-metallic zigzag nanoribbons into metallic systems

Planetary nebulae in the inner Milky Way

New abundances of planetary nebulae located towards the bulge of the Galaxy are derived based on observations made at LNA (Brazil). We present accurate abundances of the elements He, N, S, O, Ar, and Ne for 56 PNe located towards the galactic bulge. The data shows a good agreement with other results in the literature, in the sense that the distribution of the abundances is similar to those works. From the statistical analysis performed, we can suggest a bulge-disk interface at 2.2 kpc for the intermediate mass population, marking therefore the outer border of the bulge and inner border of the disk.Comment: 2 pages, 1 figure, uses iaus.cls, in press, IAU Symp. 265, Chemical abundances in the Universe: Connecting the first Stars to Planets, Ed. K. Cunha, M. Spite, B. Barbu

Planetary nebulae in the inner Milky Way: new abundances

The study of planetary nebulae in the inner-disk and bulge gives important information on the chemical abundances of elements such as He, N, O, Ar, Ne, and on the evolution of these abundances, which is associated with the evolution of intermediate-mass stars and the chemical evolution of the Galaxy. We present accurate abundances of the elements He, N, S, O, Ar, and Ne for a sample of 54 planetary nebulae located towards the bulge of the Galaxy, for which 33 have the abundances derived for the first time. The abundances are derived based on observations in the optical domain made at the National Laboratory for Astrophysics (LNA, Brazil). The data show a good agreement with other results in the literature, in the sense that the distribution of the abundances is similar to those works.Comment: Accepted for publication in RevMexAA (29 pages, 15 figures, 7 tables, uses rmaa.cls

Analytical study of tunneling times in flat histogram Monte Carlo

We present a model for the dynamics in energy space of multicanonical simulation methods that lends itself to a rather complete analytic characterization. The dynamics is completely determined by the density of states. In the \pm J 2D spin glass the transitions between the ground state level and the first excited one control the long time dynamics. We are able to calculate the distribution of tunneling times and relate it to the equilibration time of a starting probability distribution. In this model, and possibly in any model in which entering and exiting regions with low density of states are the slowest processes in the simulations, tunneling time can be much larger (by a factor of O(N)) than the equilibration time of the probability distribution. We find that these features also hold for the energy projection of single spin flip dynamics.Comment: 7 pages, 4 figures, published in Europhysics Letters (2005