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

Traces, high powers and one level density for families of curves over finite fields

AbstractThe zeta function of a curve C over a finite field may be expressed in terms of the characteristic polynomial of a unitary matrix ΘC. We develop and present a new technique to compute the expected value of tr(ΘCn) for various moduli spaces of curves of genus g over a fixed finite field in the limit as g is large, generalising and extending the work of Rudnick [Rud10] and Chinis [Chi16]. This is achieved by using function field zeta functions, explicit formulae, and the densities of prime polynomials with prescribed ramification types at certain places as given in [BDF+16] and [Zha]. We extend [BDF+16] by describing explicit dependence on the place and give an explicit proof of the Lindelöf bound for function field Dirichlet L-functions L(1/2 + it, χ). As applications, we compute the one-level density for hyperelliptic curves, cyclic ℓ-covers, and cubic non-Galois covers.</jats:p

Reconstruction of Quark Mass Matrices with Weak Basis Texture Zeroes from Experimental Input

All quark mass matrices with texture zeroes obtained through weak basis transformations are confronted with the experimental data. The reconstruction of the quark mass matrices M_u and M_d at the electroweak scale is performed in a weak basis where the matrices are Hermitian and have a maximum of three vanishing elements. The same procedure is also accomplished for the Yukawa coupling matrices at the grand unification scale in the context of the Standard Model and its minimal supersymmetric extension as well as of the two Higgs doublet model. The analysis of all viable power structures on the quark Yukawa coupling matrices that could naturally appear from a Froggatt-Nielsen mechanism is also presented.Comment: RevTeX4, 3 tables, 21 pages; misprints corrected and one reference adde

Free energy determination of phase coexistence in model C60: A comprehensive Monte Carlo study

The free energy of the solid and fluid phases of the Girifalco C60 model are determined through extensive Monte Carlo simulations. In this model the molecules interact through a spherical pair potential, characterized by a narrow and attractive well, adjacent to a harshly repulsive core. We have used the Widom test particle method and a mapping from an Einstein crystal, in order to estimate the absolute free energy in the fluid and solid phases, respectively; we have then determined the free energy along several isotherms, and the whole phase diagram, by means of standard thermodynamic integrations. We highlight how the interplay between the liquid-vapor and the liquid-solid coexistence conditions determines the existence of a narrow liquid pocket in the phase diagram, whose stability is assessed and confirmed in agreement with previous studies. In particular, the critical temperature follows closely an extended corresponding-states rule recently outlined by Noro and Frenkel [J. Chem. Phys. 113:2941 (2000)]. We discuss the emerging "energetic" properties of the system, which drive the phase behavior in systems interacting through short-range forces [A. A. Louis, Phil. Trans. R. Soc. A 359:939 (2001)], in order to explain the discrepancy between the predictions of several structural indicators and the results of full free energy calculations, to locate the fluid phase boundaries. More generally, we aim to provide extended reference data for calculations of the free energy of the C60 fullerite in the low temperature regime, as for the determination of the phase diagram of higher order fullerenes and other fullerene-related materials, whose description is based on the same model adopted in this work.Comment: RevTeX, 11 pages, 9 figure

Memory effects on the statistics of fragmentation

We investigate through extensive molecular dynamics simulations the fragmentation process of two-dimensional Lennard-Jones systems. After thermalization, the fragmentation is initiated by a sudden increment to the radial component of the particles' velocities. We study the effect of temperature of the thermalized system as well as the influence of the impact energy of the ``explosion'' event on the statistics of mass fragments. Our results indicate that the cumulative distribution of fragments follows the scaling ansatz $F(m)\propto m^{-\alpha}\exp{[-(m/m_0)^\gamma]}$, where $m$ is the mass, $m_0$ and $\gamma$ are cutoff parameters, and $\alpha$ is a scaling exponent that is dependent on the temperature. More precisely, we show clear evidence that there is a characteristic scaling exponent $\alpha$ for each macroscopic phase of the thermalized system, i.e., that the non-universal behavior of the fragmentation process is dictated by the state of the system before it breaks down.Comment: 5 pages, 8 figure

Global priorities for conservation across multiple dimensions of mammalian diversity

Conservation priorities that are based on species distribution, endemism, and vulnerability may underrepresent biologically unique species as well as their functional roles and evolutionary histories. To ensure that priorities are biologically comprehensive, multiple dimensions of diversity must be considered. Further, understanding how the different dimensions relate to one another spatially is important for conservation prioritization, but the relationship remains poorly understood. Here, we use spatial conservation planning to (i) identify and compare priority regions for global mammal conservation across three key dimensions of biodiversity-taxonomic, phylogenetic, and traits-and (ii) determine the overlap of these regions with the locations of threatened species and existing protected areas. We show that priority areas for mammal conservation exhibit low overlap across the three dimensions, highlighting the need for an integrative approach for biodiversity conservation. Additionally, currently protected areas poorly represent the three dimensions of mammalian biodiversity. We identify areas of high conservation priority among and across the dimensions that should receive special attention for expanding the global protected area network. These high-priority areas, combined with areas of high priority for other taxonomic groups and with social, economic, and political considerations, provide a biological foundation for future conservation planning efforts

Texture Zeros and Weak Basis Transformations

We investigate the physical meaning of some of the "texture zeros" which appear in most of the Ansatze on quark masses and mixings. It is shown that starting from arbitrary quark mass matrices and making a suitable weak basis transformation one can obtain some of these sets of zeros which therefore have no physical content. We then analyse the physical implications of a four-texture zero Ansatz which is in agreement with all present experimental data.Comment: 11 pages, typeset using revte