The two gap transitions in Ge1−x_{1-x}Snx_x: effect of non-substitutional complex defects

The existence of non-substitutional $\beta$-Sn defects in Ge$_{1-x}$Sn$_{x}$ was confirmed by emission channeling experiments [Decoster et al., Phys. Rev. B 81, 155204 (2010)], which established that although most Sn enters substitutionally ($\alpha$-Sn) in the Ge lattice, a second significant fraction corresponds to the Sn-vacancy defect complex in the split-vacancy configuration ( $\beta$-Sn ), in agreement with our previous theoretical study [Ventura et al., Phys. Rev. B 79, 155202 (2009)]. Here, we present our electronic structure calculation for Ge$_{1-x}$Sn$_{x}$, including substitutional $\alpha$-Sn as well as non-substitutional $\beta$-Sn defects. To include the presence of non-substitutional complex defects in the electronic structure calculation for this multi-orbital alloy problem, we extended the approach for the purely substitutional alloy by Jenkins and Dow [Jenkins and Dow, Phys. Rev. B 36, 7994 (1987)]. We employed an effective substitutional two-site cluster equivalent to the real non-substitutional $\beta$-Sn defect, which was determined by a Green's functions calculation. We then calculated the electronic structure of the effective alloy purely in terms of substitutional defects, embedding the effective substitutional clusters in the lattice. Our results describe the two transitions of the fundamental gap of Ge$_{1-x}$Sn$_{x}$ as a function of the total Sn-concentration: namely from an indirect to a direct gap, first, and the metallization transition at higher $x$. They also highlight the role of $\beta$-Sn in the reduction of the concentration range which corresponds to the direct-gap phase of this alloy, of interest for optoelectronics applications.Comment: 11 pages, 9 Figure

Optimal Investment in Research and Development Under Uncertainty

This paper explores the optimal expenditure rate that a firm should employ to develop a new technology and pursue the registration of the related patent. Our model takes into account an economic environment with indus-trial competition among firms operating in the same sector and in presence of uncertainty in knowledge accumulation. We develop a stochastic optimal control problem with random horizon, and solve it theoretically by adopting a dynamic programming approach. An extensive numerical analysis suggests that the optimal expenditure rate is a decreasing function in time and its sen-sitivity to uncertainty depends on the stage of the race. The odds for the firm to preempt the rivals non-linearly depend on the degree of competition in the market

Temperature and doping dependence of normal state spectral properties in a two-orbital model for ferropnictides

Using a second-order perturbative Green's functions approach we determined the normal state single-particle spectral function $A(\vec{k},\omega)$ employing a minimal effective model for iron-based superconductors. The microscopic model, used before to study magnetic fluctuations and superconducting properties, includes the two effective tight-binding bands proposed by S.Raghu et al. [Phys. Rev. B 77, 220503 (R) (2008)], and intra- and inter-orbital local electronic correlations, related to the Fe-3d orbitals. Here, we focus on the study of normal state electronic properties, in particular the temperature and doping dependence of the total density of states, $A(\omega)$, and of $A(\vec{k},\omega)$ in different Brillouin zone regions, and compare them to the existing angle resolved photoemission spectroscopy (ARPES) and previous theoretical results in ferropnictides. We obtain an asymmetric effect of electron and hole doping, quantitative agreement with the experimental chemical potential shifts as a function of doping, as well as spectral weight redistributions near the Fermi level as a function of temperature consistent with the available experimental data. In addition, we predict a non-trivial dependence of the total density of states with the temperature, exhibiting clear renormalization effects by correlations. Interestingly, investigating the origin of this predicted behaviour by analyzing the evolution with temperature of the k-dependent self-energy obtained in our approach, we could identify a number of specific Brillouin zone points, none of them probed by ARPES experiments yet, where the largest non-trivial effects of temperature on the renormalization are present.Comment: Manuscript accepted in Physics Letters A on Feb. 25, 201

Normal state electronic properties of LaO1−x_{1-x}Fx_{x}BiS2_{2} superconductors

A good description of the electronic structure of BiS$_{2}$-based superconductors is essential to understand their phase diagram, normal state and superconducting properties. To describe the first reports of normal state electronic structure features from angle resolved photoemission spectroscopy (ARPES) in LaO$_{1-x}$F$_{x}$BiS$_{2}$, we used a minimal microscopic model to study their low energy properties. It includes the two effective tight-binding bands proposed by Usui et al [Phys.Rev.B 86, 220501(R)(2012)], and we added moderate intra- and inter-orbital electron correlations related to Bi-($p_{Y}$, $p_{X}$) and S-($p_{Y}$, $p_{X}$) orbitals. We calculated the electron Green's functions using their equations of motion, which we decoupled in second-order of perturbations on the correlations. We determined the normal state spectral density function and total density of states for LaO$_{1-x}$F$_{x}$BiS$_{2}$, focusing on the description of the k-dependence, effect of doping, and the prediction of the temperature dependence of spectral properties. Including moderate electron correlations, improves the description of the few experimental ARPES and soft X-ray photoemission data available for LaO$_{1-x}$F$_{x}$BiS$_{2}$. Our analytical approximation enabled us to calculate the spectral density around the conduction band minimum at $\vec{k}_{0}=(0.45\pi,0.45\pi)$, and to predict the temperature dependence of the spectral properties at different BZ points, which might be verified by temperature dependent ARPES.Comment: 9 figures. Manuscript accepted in Physica B: Condensed Matter on Jan. 25, 201

On the alumina dust production in the winds of O-rich Asymptotic Giant Branch stars

The O-rich Asymptotic Giant Branch (AGB) stars experience strong mass loss with efficient dust condensation and they are major sources of dust in the interstellar medium. Alumina dust (Al$_2$O$_3$) is an important dust component in O-rich circumstellar shells and it is expected to be fairly abundant in the winds of the more massive and O-rich AGB stars. By coupling AGB stellar nucleosynthesis and dust formation, we present a self-consistent exploration on the Al$_2$O$_3$ production in the winds of AGB stars with progenitor masses between $\sim$3 and 7 M$_{\odot}$ and metallicities in the range 0.0003 $\le$ Z $\le$ 0.018. We find that Al$_2$O$_3$ particles form at radial distances from the centre between $\sim2$ and 4 R$_*$ (depending on metallicity), which is in agreement with recent interferometric observations of Galactic O-rich AGB stars. The mass of Al$_2$O$_3$ dust is found to scale almost linearly with metallicity, with solar metallicity AGBs producing the highest amount (about 10$^{-3}$ M$_{\odot}$) of alumina dust. The Al$_2$O$_3$ grain size decreases with decreasing metallicity (and initial stellar mass) and the maximum size of the Al$_2$O$_3$ grains is $\sim$0.075 $\mu m$ for the solar metallicity models. Interestingly, the strong depletion of gaseous Al observed in the low-metallicity HBB AGB star HV 2576 seems to be consistent with the formation of Al$_2$O$_3$ dust as predicted by our models. We suggest that the content of Al may be used as a mass (and evolutionary stage) indicator in AGB stars experiencing HBB.Comment: 13 pages, 8 figures, accepted for publication in MNRA

AGB stars in the SMC: evolution and dust properties based on Spitzer observations

We study the population of asymptotic giant branch (AGB) stars in the Small Magellanic Cloud (SMC) by means of full evolutionary models of stars of mass 1Msun < M < 8Msun, evolved through the thermally pulsing phase. The models also account for dust production in the circumstellar envelope. We compare Spitzer infrared colours with results from theoretical modelling. We show that ~75% of the AGB population of the SMC is composed by scarcely obscured objects, mainly stars of mass M < 2.5Msun at various metallicity, formed between 700 Myr and 5 Gyr ago; ~ 70% of these sources are oxygen--rich stars, while ~ 30% are C-stars. The sample of the most obscured AGB stars, accounting for ~ 25% of the total sample, is composed almost entirely by carbon stars. The distribution in the colour-colour ([3.6]-[4.5], [5.8]-[8.0]) and colour-magnitude ([3.6]-[8.0], [8.0]) diagrams of these C-rich objects, with a large infrared emission, traces an obscuration sequence, according to the amount of carbonaceous dust in their surroundings. The overall population of C-rich AGB stars descends from 1.5-2Msun stars of metallicity Z=0.004, formed between 700 Myr and 2 Gyr ago, and from lower metallicity objects, of mass below 1.5Msun, 2-5 Gyr old. We also identify obscured oxygen-rich stars (M ~ 4-6Msun) experiencing hot bottom burning. The differences between the AGB populations of the SMC and LMC are also commented.Comment: 18, pages, 11 figures, accepted for publication on MNRA

AGB and SAGB stars: modelling dust production at solar metallicity

We present dust yields for asymptotic giant branch (AGB) and super--asymptotic giant branch (SAGB) stars of solar metallicity. Stars with initial mass $1.5~M_{\odot} \leq M_{\rm ini} \leq 3~M_{\odot}$ reach the carbon star stage during the AGB phase and produce mainly solid carbon and SiC. The size and the amount of the carbon particles formed follows a positive trend with themass of the star; the carbon grains with the largest size ($a_{\rm C} \sim 0.2\mu$m) are produced by AGB stars with $M_{\rm ini} = 2.5-3~M_{\odot}$, as these stars are those achieving the largest enrichment of carbon in the surface regions. The size of SiC grains, being sensitive to the surface silicon abundance, keeps around $a_{\rm SiC} \sim 0.1\mu$m. The mass of carbonaceous dust formed is in the range $10^{-4} - 5\times 10^{-3}~M_{\odot}$, whereas the amount of SiC produced is $2\times 10^{-4} - 10^{-3}~M_{\odot}$. Massive AGB/SAGB stars with $M_{\rm ini} > 3~M_{\odot}$ experience HBB, that inhibits formation of carbon stars. The most relevant dust species formed in these stars are silicates and alumina dust, with grain sizes in the range $0.1\mu m < a_{\rm ol} < 0.15\mu$m and $a_{\rm Al_2O_3} \sim 0.07\mu$m, respectively. The mass of silicates produced spans the interval $3.4\times 10^{-3}~M_{\odot} \leq M_{\rm dust} \leq 1.1\times 10^{-2}~M_{\odot}$ and increases with the initial mass of the star.Comment: Accepted for publication in MNRA

Bridge's vehicular loads characterization through Weight-In-Motion (WIM) systems. The case study of Brescia

The growing traffic flow and the increase in transported masses negatively affect infrastructural safety. Several authors have characterized traffic loads on bridges in the American and Chinese context using Weigh-in-Motion (WIM) systems. Conversely, very few studies have been carried out in Europe and, as far as the authors know, none in Italy. This study covers this gap by providing a statistical analysis of raw WIM data collected on a main bridge near the city of Brescia (Italy). First, the traffic flow and the characteristics of vehicles were gathered by a WIM device. Second, some descriptive statistics were performed by computing the probabilistic distributions of numerous vehicular attributes. Third, as a novelty element, a K-means based Clustering technique was adopted on a wide set of vehicular features to detect heavy vehicle clusters. The results showed the existence of three main clusters: two predominately composed by lightly overloaded ordinary vehicles and construction machinery, respectively, and one by mass exceptional vehicles. This study considers a broader set of vehicular parameters than previous ones and then, provides a deeper understanding. Moreover, it shows that axle mass limits violations are noteworthy among mass exceptional vehicles in Italy highlighting the need of improving weight enforcement. These knowledges will be crucial for a rational organisation of the existing assets