OSMAR FLAVIO DA SILVEIRA LEITE NETO
4 resultados
Resultados de Busca
Agora exibindo 1 - 4 de 4
Artigo IPEN-doc 28168 Locally symmetric oxygen vacancy around Cd impurities in CeO22021 - FERREIRA, W.L.; PEREIRA, L.F.D.; LEITE NETO, O.F.S.; MACIEL, L.S.; GONÇALVES, V.C.; SAXENA, R.N.; CARBONARI, A.W.; COSTA, M.S.; CABRERA-PASCA, G.A.A detailed investigation of the electronic structure in the neighborhood of Cd impurities in CeO2 has been performed by ab initio calculations to elucidate the interplay between the oxygen vacancies and electric quadrupole interactions. The quadrupole frequency related to the major component of the electric-field gradient (EFG) at impurities sites from its neighboring charge density as well as its symmetry were calculated by simulating oxygen vacancies at oxygen nearest neighbor of Cd. Results show a very good agreement with experimental hyperfine interactions measurements at the 111Cd nucleus replacing Ce at CeO2. A systematic mapping of oxygen vacancies in CeO2 supercells was proposed within the framework of density-functional theory using the WIEN2K code focusing on the electronic distribution in the vicinity of Cd impurities. Results show that the calculated values of EFG crucially depend on impurity-vacancy complex position and the striking axial symmetry observed when an oxygen monovancy is at the nearest neighborhood of Cd is explained by a rearrangement of its p orbitals.Resumo IPEN-doc 27981 Study of hyperfine interactions in Perovskite structure CaTiO3 with perturbed angular correlation spectroscopy2019 - LEITE NETO, O.F.S.; SANTOS, B.S.; NARESSI, A.L.E.; SALES, T.S.N.; SAXENA, R.N.; CARBONARI, A.W.Ceramic materials of the perovkista were identified as candidates for immobilization of medium and high levels of radioactive waste due to the fact that they are thermodynamically chemically and physically stable. Because it is a nuclear technique, PAC spectroscopy has great precision and efficiency in the measurement of local hyperfine fields on an atomic scale, constituting an ideal tool for the investigation of the atomic origin of structural phenomena, such as the influence of defects in the macroscopic properties of many materials or the local neighborhood of metallic atoms in the oxide structure. The samples has been prepared by sol-gel method and characterized by X-ray diffraction. In this study the time differential perturbed angular correlation (PAC) spectroscopy was used to study the structure of CaTiO3 and the possible defects made by radiation exposure. The probe nucleus used in this research was 111Cd. The PAC method is based on the hyperfine interaction of nuclear moments of the probe with extra nuclear magnetic fields or electric field gradients (EFGs). In the case of quadrupolar electric interaction, the experimental measurement gives the quadrupolar frequency νQ with respective distribution δ as well as the asymmetry parameter η of EFG. The γ-γ PAC measurements were carried out using a standard set up with four conical BaF2 detector scintillators with a time resolution of 0.6 ns (FWHM).Resumo IPEN-doc 27087 Magnetic hyperfine field at 119Sn and 111Cd probes in Gd5Ge4 studied by Mössbauer and PAC spectroscopy2019 - KRYLOV, V.I.; BOSCH-SANTOS, B.; CABRERA-PASCA, G.A.; CARBONARI, A.W.; SAXENA, R.N.; LEITE NETO, O.F.S.The magnetic structure of Gd5Ge4 belonging to the family of giant magnetocaloric Gd5(Si1-xGex)4 alloys [1] has been examined by magnetization measurements in single crystal [2, 3], X-ray resonant magnetic scattering (XRMS) [4], and neutron powder diffraction (NPD [5]. Gd5Ge4 crystallizes in the orthorhombic structure (space group Pnma) having three non-equivalent Ge-sites. At low temperatures, the Gd magnetic moments are ferromagnetically (FM) aligned within the slabs along the c-direction, while their stacking in the b-direction is antiferromagnetic (AFM) below 127 K [2, 4]. In this work, the temperature dependence of the magnetic hyperfine field (HF) and electric quadrupole interaction on 119Sn and 111Cd probe nuclei in Gd5Ge4 compound have been investigated by Mössbauer and perturbed angular correlation (PAC) spectroscopy. At the saturation, the HF magnitudes reach of Bhf =28.0(5) T and Bhf= 12.6(5) T for 119Sn and 111Cd, respectively, which correspond to the FM local magnetic environment for these probes. It was found that 119Sn probes are placed in two Ge positions, whereas 111Cd probes are located in only one of the three Ge positions in Gd5Ge4. Temperature dependence of Bhf for both 119Sn and 111Cd probes in Gd5Ge4 present anomalous behavior. In the range from 20 K to 120K, the HF decreases almost linearly when temperature increases. These anomalous behavior of Bhf(T) for 119Sn and 111Cd probes are in agreement with the temperature variation of the magnetic (070) and (010) peak intensities that have been found in XRMS [3] and NPD [4] studies. The AFM ordering temperature of Gd5Ge4, TN=129(1) K, found from the Bhf (T) is in agreement with previous results of [2 - 5]. Changes of the values and sign of the quadrupole shift of Mössbauer spectra for 119Sn atoms with the increase of temperature from 30 to 50 K confirm the spin-flop transition in Gd5Ge4 [2, 4].Resumo IPEN-doc 23312 Influence of oxygen atmosphere in the annealing of HfO2 thin films studied by perturbed angular correlation spectroscopy2016 - CAVALCANTE, FABIO H. de M.; SALES, TATIANE S.N.; DAY, TRAVIS; LEITE NETO, OSMAR F.S.; PEREIRA, LUCIANO F.D.; SAXENA, RAJENDRA N.; CARBONARI, ARTUR W.; MENONI, CARMENThe thin films of HfO2 have been grown by dual ion beam sputtering (DIBS) on transparent quartz substrates (grade silica) and silicon wafers. The major benefits of the DIBS process are the increased packing density of the deposited films which makes them more bulk-like, the improved adhesion resulting from the mixing of the materials at the interfaces between each layer, and the reduction of the high tensile stress in the layers. Deposition conditions were adjusted to obtain polycrystalline as well as amorphous films. In this study the time differential perturbed angular correlation (PAC) spectroscopy was used to study the influence of oxygen atmosphere in the annealing of the HfO2 thin film. The PAC method is based on the hyperfine interaction of nuclear moments of the probe with extra nuclear magnetic fields or electric field gradients (EFGs). In the case of quadrupolar interaction, the experimental measurement gives the quadrupolar frequency νQ with respective distribution δ as well as the asymmetry parameter η of EFG. The presence of the 180Hf isotope in natural hafnium allows the possibility of using 181Ta as a probe nucleus formed by irradiating the samples with neutrons via 180Hf(n,γ)181Hf reaction. After irradiation, samples were annealed in oxygen atmosphere at different temperatures. The γ-γ PAC measurements were then carried out using a standard set up with four conical BaF2 detector scintillators with a time resolution of 0.6 ns (FWHM). Results show a structural transition from monoclinic to tetragonal in the annealed samples.