Optical properties of germanium dioxide in the rutile structure

Abstract.: We present first-principles calculations for the optical properties of germanium dioxide in the rutile structure. The electronic band structure has been calculated self-consistently within the local density approximation using the full-potential linearized augmented plane wave method. The electronic band structure shows that the fundamental energy gap is direct at the center of the Brillouin zone. The determinant role of a band structure computation with respect to the analysis of the optical properties is discusse

Electronic structure and optical properties of TaC from the first principles calculation

Abstract.: The electronic and optical properties of tantalum carbide TaC have been calculated using the full-potential linearized augmented-plane-wave method within the local density approximation scheme for the exchange-correlation potential. We find that the optical spectra can be extremely sensitive to the Brillouin zone sampling. The influence of relativistic effects on the dielectric function is investigated. It is shown that the scalar-relativistic correction is much more important than spin-orbit coupling. Our results are found to be in good agreement with the available experimental data. The determinant role of a band structure computation with respect to the analysis of optical properties is discusse

Linear acenes linked thiophene, electronic and chemical properties: Prospects for molecular organic electronic material

We report a theoretical study of linear acene (n=1 to 7) linked thiophene properties functionality. The total ground state and band gap energies, Coulomb potential and nuclear repulsion energy are calculated by DFT, MP2 at B3LYP exchange level of the theory and 6-311G* basis set. The results are in good agreement with the experimental and theoretical values. It is found that the total ground state energy of the system and band gap energy decreases with an increasing number of electrons in the rings. The addition of thiophene molecules tends to improve the electronic and chemical properties of the linear acenes, the material exhibit potential application in the organic molecular electronic material

Theoretical investigations of β-tricalcium

Beta-tri-calcium phosphate (β-TCP) materials have gained a great deal of research considerations in biomaterial area due to their excellent biocompatibility and identical chemical compositions to the natural teeth and bones. Therefore, the β-TCP compound can be used as coatings, cement and composites as well as biocompatible ceramics for medical and dental applications. Electronic and optical properties for β-TCP compound have been investigated using density functional theory (DFT). For the calculations, we used full potential linear augmented plane wave method (FPLAPW), within three types of approximations along with local density approximations (LDA), generalized gradient approximations (GGA) and Modified Becke-Johnson (mBJ) to get the effect of the exchange and correlation in our calculations to get an accurate results. The computed band gap values for (β-TCP) compound using LDA, GGA, and mBJ-GGA approximations are 5.5 eV, 5.9 eV and 6.8 eV respectively. This is also predicted that the chemical bonding in this compound is a kind of combination of covalent and ionic character that is in a line with the experimental findings. The optical parameter, static dielectric constant ε1(0) reaches the values of 3.23681 (eV) at 0 GPa for the β-TCP compound. The obtained results are of vital nature for rising the quality of the electronic and optical properties of this material, and provide more evidence to fabricate novel Beta-Tri-calcium phosphate biomaterials for medical and dental applications

Fragmentation cross sections of Fe^{26+}, Si^{14+} and C^{6+} ions of 0.3-10 A GeV on CR39, polyethylene and aluminum targets

New measurements of the total and partial fragmentation cross sections in the energy range 0.3-10 A GeV of Fe^{26+}, Si^{14+} and C^{6+} beams on polyethylene, CR39 and aluminum targets are presented. The exposures were made at Brookhaven National Laboratory (BNL), USA, and Heavy Ion Medical Accelerator in Chiba (HIMAC), Japan. The CR39 nuclear track detectors were used to identify the incident and survived beams and their fragments. The total fragmentation cross sections for all targets are almost energy independent while they depend on the target mass. The measured partial fragmentation cross sections are also discussed.Comment: 4 pages, 5 eps figures. Talk given at the 24th International Conference on Nuclear Tracks in Solids, Bologna, Italy, 1-5 September 200

Density functional theory study of the electronic and optical properties of pure and magnesium doped Β-tricalcium phosphate compound

β-Tri-calcium phosphate material (β-TCP), have attract a wide interest in the material science and medical science applications, due to its excellent biocompatibility and its identical chemical compositions to the natural teeth and bones. For that reason, (β-TCP) compound is widely used as biocompatible ceramics in medical and dental science applications. However, research shows that, pure β-TCP material has lower ability to stimulate the growth of natural bone and teeth as needed. Therefore, in order to address this deficiency magnesium impurity is used to replace calcium in the matrix of pure β-TCP to enhance its electronic and optical properties which are not present in the pure one. Thereby, its biological performance becomes improved. By changing the chemical composition of β-TCP to be similar to the mineral compositions of the natural teeth and bones. This will give more insight in fabrication of biomaterial devices for replacing, repairing and rebuilding the broken or damaged human teeth and bones. Here, we present the study of compound β-TCP using density functional theory (DFT). For the calculations, we used full potential linear augmented plane wave method (FPL-APW), along with generalized gradient approximations (GGA) potential. The band gap values of 5.2 eV and 3.4 eV are obtained for the pure and Mg-doped β-TCP, respectively. These results are in good agreement with the experimental values. Our results show peaks which correspond to the refractive index, complex dielectric function, optical conductivity, optical reflectivity, extinction coefficient, absorption efficient, and electron energy loss. These peaks are shifted towards the higher energy values for the pure and Mg-doped β-TCP material. The obtained results have more significance for increasing the quality of electronic and optical properties of this material and offer more evidences to synthesize enhanced β-TCP material for dental and medical applications

Search for strange quark matter and Q-balls with the SLIM experiment

We report on the search for Strange Quark Matter (SQM) and charged Q-balls with the SLIM experiment at the Chacaltaya High Altitude Laboratory (5230 m a.s.l.) from 2001 to 2005. The SLIM experiment was a 427 m$^{2}$ array of Nuclear Track Detectors (NTDs) arranged in modules of $24 \times 24$ cm$^{2}$ area. SLIM NTDs were exposed to the cosmic radiation for 4.22 years after which they were brought back to the Bologna Laboratory where they were etched and analyzed. We estimate the properties and energy losses in matter of nuclearites (large SQM nuggets), strangelets (small charged SQM nuggets) and Q-balls; and discuss their detection with the SLIM experiment. The flux upper limits in the CR of such downgoing particles are at the level of $1.3 10^{-15}$/cm$^{2}$/s/sr (90% CL).Comment: 4 pages, 7 eps figures. Talk given at the 24th International Conference on Nuclear Tracks in Solids, Bologna, Italy, 1-5 September 200

Prospects for the measurement of muon-neutrino disappearance at the FNAL-Booster

Neutrino physics is nowadays receiving more and more attention as a possible source of information for the long-standing problem of new physics beyond the Standard Model. The recent measurement of the mixing angle $\theta_{13}$ in the standard mixing oscillation scenario encourages us to pursue the still missing results on leptonic CP violation and absolute neutrino masses. However, puzzling measurements exist that deserve an exhaustive evaluation. The NESSiE Collaboration has been setup to undertake conclusive experiments to clarify the muon-neutrino disappearance measurements at small $L/E$, which will be able to put severe constraints to models with more than the three-standard neutrinos, or even to robustly measure the presence of a new kind of neutrino oscillation for the first time. To this aim the use of the current FNAL-Booster neutrino beam for a Short-Baseline experiment has been carefully evaluated. This proposal refers to the use of magnetic spectrometers at two different sites, Near and Far. Their positions have been extensively studied, together with the possible performances of two OPERA-like spectrometers. The proposal is constrained by availability of existing hardware and a time-schedule compatible with the CERN project for a new more performant neutrino beam, which will nicely extend the physics results achievable at the Booster. The possible FNAL experiment will allow to clarify the current $\nu_{\mu}$ disappearance tension with $\nu_e$ appearance and disappearance at the eV mass scale. Instead, a new CERN neutrino beam would allow a further span in the parameter space together with a refined control of systematics and, more relevant, the measurement of the antineutrino sector, by upgrading the spectrometer with detectors currently under R&D study.Comment: 76 pages, 52 figure

Angioplastie coronaire percutanée chez la femme : particularités cliniques, procédurales et pronostiques

AbstractX Les résultats de l´angioplastie transluminale (ATL) des coronaires chez la femme ont été pendant de nombreuses années controversés et longtemps considérés comme moins favorable que chez l´homme. Le but de notre travail était d’évaluer les caractéristiques de l’angioplastie coronaire chez la femme, ainsi que les résultats immédiats et à moyen terme et de les comparer à ceux chez l’homme. Nous avons comparé 200 patients dont 100 femmes, ayant bénéficié d’une angioplastie coronaire, colligés au service de cardiologie de l’hôpital Hédi Chaker de Sfax entre 2002 et 2007. Les femmes étaient significativement plus âgées que les hommes. La comparaison de la fréquence des facteurs de risque d’athérosclérose chez les deux sexes, a permis de noter une co-morbidité franchement plus importante chez la femme, avec une différence statiquement significative. L’ATL a été plus motivée chez la femme devant un angor stable sévère (p<0,05) et un SCA ST- (p=NS). Les femmes avaient plus d’atteinte polytronculaire (p<0,05), d’atteintes des segments moyens et distaux (p<0,05) et plus des lésions serrées (p=NS), longues et calcifiées (p<0,05). 259 stents ont été déployés, un stenting direct était plus fréquent dans la population féminine (p<0,05). Le diamètre des artères féminines, assimilé à celui du stent et/ou ballon utilisé, a été significativement moins important que celui des hommes. La longueur des stents et/ou ballon utilisés, ainsi que les pressions de larguage des stents ont été plus importantes chez la population féminine (p<0,05). Le succès angiographique global a été obtenu chez 94% de la population générale, sans différence significative entre les deux sexes. Les évènements cardiaques majeurs (MACE) hospitaliers ont été plus fréquents chez la femme (p=0,05). Après un suivi moyen de 31 mois, le taux de MACE global a été significativement plus important chez la femme (39% vs. 28%, p<0,05), portant surtout sur la mortalité globale (13% vs. 3%, p<0,05). Le taux de resténose a été comparable chez les deux sexes. L’angioplastie coronaire constitue actuellement un moyen thérapeutique efficace et sur chez la femme, au prix de complications plus fréquentes.Key words: Angioplastie coronaire percutanée, syndrome coronarien aigu, sexes, mortalité, Tunisi