ANASTASIA BURIMOVA
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Artigo IPEN-doc 29041 Local crystalline structure of doped semiconductor oxides characterized by perturbed angular correlations2022 - BURIMOVA, ANASTASIA; CARBONARI, ARTUR W.; LIMA, NICOLE P. de; MIRANDA FILHO, ARNALDO A.; SOUZA, ALEXANDRE P. dos S.; SALES, TATIANE da S.N.; FERREIRA, WANDERSON L.; PEREIRA, LUCIANO F.D.; CORREA, BRUNO S.; SAXENA, RAJENDRA N.Doping semiconductor oxides with trace amounts of non-native elements can improve their properties such as bandgap and conductivity. The lack of local techniques makes the precise characterization of these materials difficult. Among the few techniques capable of providing local characterization, those based on hyperfine interactions at probe nuclei have the advantage of being well established, probing the material homogeneously and completely, thus investigating different regions of material. Some of these techniques are also quite sensitive even at extremely low dopant concentrations. The perturbed angular correlation technique, combined with first-principles calculations, has recently been shown to be a powerful method for characterizing doped semiconductor oxides. In this paper, we present a brief review of the unique information extracted from the semiconductor investigation with such a complex approach, including semiconductor oxides doped with cadmium and other elements. A strong relationship between the local environment, including electronic structure, and the nature of the dopant and the native element of the doped oxides is also shown.Artigo IPEN-doc 27768 DFT-based calculations of the magnetic hyperfine interactions at Cd sites in RCd (R = rare earth) compounds with the FP-LAPW ELK code2021 - MACIEL, L.S.; BURIMOVA, A.; PEREIRA, L.F.D.; FERREIRA, W.L.; SALES, T.S.N.; GONÇALVES, V.C.; CABRERA-PASCA, G.A.; SAXENA, R.N.; CARBONARI, A.W.In the work here reported, we have calculated magnetic hyperfine interactions in rare-earth (R) intermetallic compounds by using the free open-source all-electron ELK code. The RCd (R = Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb) series was chosen as a test system because an almost complete set of experimental data on the hyperfine parameters at Cd sites was acquired through the time differential perturbed angular correlation (TDPAC) spectroscopy as previously reported. Moreover, results on magnetic hyperfine field (Bhf ) from WIEN2k code were also reported allowing a qualitative comparison analysis. We emphasize that the utilized version of ELK accounted for the contact field only. Yet, as it is the only contribution expected for Cd site in RCd compounds, the calculated Bhf values are in reasonable agreement with the experimental results. The Spin-orbit coupling when taken into account led to a decrease in deviation from experimental data. Addition, the Hubbard-like term was revealed crucial in order to make Bhf predictions for CeCd, suggesting that this behavior may be associated with a weaker 4f electron localization in Ce.Artigo IPEN-doc 27552 Local inspection of magnetic properties in GdMnIn by measuring hyperfine interactions2021 - CABRERA-PASCA, G.A.; MAGNO, J.F.; FERREIRA, W.L.; CAMPOS, A.C.; BOSCH-SANTOS, B.; SALES, T.S.N.; PEREIRA, L.F.D.; BURIMOVA, A.; SAXENA, R.N.; FREITAS, R.S.; CARBONARI, A.W.GdMnIn is reported to crystallize in the hexagonal MgNi2-type structure presenting a spin-glass behavior with no magnetic order attributed to the triangular spin frustration of magnetic ions. In the present work, FC-ZFC magnetization, specific heat and AC susceptibility measurements along with the local magnetic exchange measured by hyperfine interactions at In sites are used to investigate the magnetic behavior in GdMnIn compound. The ZFC-FC magnetization curves exhibit an inflection which was ascribed to the antiferromagnetic transition at TN= 145 K. These curves also give an indication of thermomagnetic irreversibility at 118 K, which along with the absence of inflection in specific heat results might be associated to spin-glass behavior. Results of AC susceptibility and magnetic hyperfine field measured using 111In(111Cd) probe nuclei carried out by perturbed angular correlations (PAC) technique did not show evidence of spin-glass behavior. The thermomagnetic irreversibility in FC-ZFC curves along with results of hyerfine interactions suggest the presence of magneto-crystalline anisotropy effects and a weak long-range coupling in GdMnIn.Artigo IPEN-doc 26867 Effect of the magnetic impurity on the charge diffusion in highly dilute Ce doped LaMnO32020 - CABRERA-PASCA, G.A.; BOSCH-SANTOS, B.; BURIMOVA, A.; CORREA, E.L.; CARBONARI, A.W.LaMnO3+δ is a complex oxide, which, depending on the oxygen excess concentration, presents different crystalline structure and interesting magnetic and electric properties such as colossal magnetoresistance, polaron dynamics, multiferroic behavior, and charge-orbital ordering. This complexity requires different characterization techniques to draw a picture as complete as possible allowing a good understanding of these phenomena. Here, we have used the perturbed angular correlation (PAC) technique to measure hyperfine interactions at La and Mn sites of LaMnO3+δ(δ ∼0.15) using 140Ce and 111Cd at La sites as probe nuclei in order to investigate within an atomic scale the magnetic and electric interactions in this compound. The results show that 111Cd nuclei occupy highly symmetric local sites in agreement with a rhombohedral structure. The magnetic hyperfine field (Bhf ) measured with 111Cd at La sites is very small (Bhf = 0.40 T) due to the supertransferred magnetic field from Mn neighbors through oxygen orbitals. On the other hand, 140Ce nuclei at La sites present a saturation field of around 3.7 T much higher than that expected for La sites (due to the weak transfer field by superexchange mechanism). In addition, for temperature range above the magnetic ordering (200-300 K) a dynamic hyperfine interaction was observed characterized by the attenuation parameter λ(T) whose temperature dependence allowed to determine the activation energy (Ea) associated to charge transfer. The polarization of the 4f -electron of Ce impurities affects the local magnetic field at impurity sites as well as the Ea.