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Register a new userCorrelation between anion defects and ion beam induced luminescence in Y4Zr3O12
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Potential applications of Zr/Al ODS alloys vests on the irradiation stability of the Y4Zr3O12 dispersoids. Fundamental studies to identify the type of defects are important in order to recognize pathways for damage alleviation. In this context, studies relating to identification of point defects and their clusters by in-situ ionoluminescence spectroscopy were taken up. The ionoluminescence spectrum acquired during 100 keV He+ ion irradiation shows two prominent bands, at 330 nm and 415 nm. Using density functional theory calculations with HSE06 hybrid exchange correlation functional, the luminescent bands have been identified to be arising due to native and irradiation induced oxygen vacancy defects in charged and neutral configurations.
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X-ray photoelectron spectroscopy (XPS) and resonant x-ray emission spectroscopy (RXES) measurements of pellet and thin film forms of TiO$_2$ with implanted Fe ions are presented and discussed. The findings indicate that Fe-implantation in a TiO$_2$ pellet sample induces heterovalent cation substitution (Fe$^{2+}rightarrow$ Ti$^{4+}$) beneath the surface region. But in thin film samples, the clustering of Fe atoms is primarily detected. In addition to this, significant amounts of secondary phases of Fe$^{3+}$ are detected on the surface of all doped samples due to oxygen exposure. These experimental findings are compared with density functional theory (DFT) calculations of formation energies for different configurations of structural defects in the implanted TiO$_2$:Fe system. According to our calculations, the clustering of Fe-atoms in TiO$_2$:Fe thin films can be attributed to the formation of combined substitutional and interstitial defects. Further, the differences due to Fe doping in pellet and thin film samples can ultimately be attributed to different surface to volume ratios.
In this study, we performed high-pressure electrical resistivity measurements of polycrystalline FeSe in the pressure range of 1-16.0 GPa at temperatures of 4-300 K. A precise evaluation of Tc from zero-resistivity temperatures revealed that Tc shows a slightly distorted dome-shaped curve, with maximum Tc (30 K) at 6 GPa, which is lower than a previously reported Tc value (~37 K). With the application of pressure, the temperature dependence of resistivity above Tc changes dramatically to a linear dependence; a non-Fermi-liquid-like high-Tc phase appears above 3 GPa. We found a striking correlation between Tc and the Se height: the lower the Se height, the more enhanced is Tc. Moreover, this relation is broadly applicable to other iron pnictides, strongly indicating that high-temperature superconductivity can appear only around the optimum anion height (~1.38A). On the basis of these results, we suggest that the anion height should be considered as a key determining factor of Tc of iron-based superconductors containing various anions.
Anionic ordering is a promising route to engineer physical properties in functional heteroanionic materials. A central challenge in the study of anion-ordered compounds lies in developing robust synthetic strategies to control anion occupation and in understanding the resultant implications for electronic structure. Here, we show that epitaxial strain induces preferential occupation of F and O on the anion sites in perovskite oxyfluoride SrMnO2.5-dFg films grown on different substrates. Under compressive strain, F tends to take the apical-like sites, which was revealed by F and O K-edge linearly polarized x-ray absorption spectroscopy and density functional theory calculations, resulting in an enhanced c-axis expansion. Under tensile strain, F tends to take the equatorial-like sites, enabling the longer Mn-F bonds to lie within the plane. The anion ordered oxyfluoride films exhibit a significant orbital polarization of the 3d electrons, distinct F-site dependence to their valence band density of states, and an enhanced resistivity when F occupies the apical-like anion site compared to the equatorial-like site. By demonstrating a general strategy for inducing anion-site order in oxyfluoride perovskites, this work lays the foundation for future materials design and synthesis efforts that leverage this greater degree of atomic control to realize new polar or quasi-two-dimensional materials.
The various decay mechanisms of excitons in cuprous oxide (Cu2O) are highly sensitive to defects which can relax selection rules. Here we report cryogenic hyperspectral imaging of exciton luminescence from cuprous oxide crystals grown via the floating zone method showing the samples have few defects. Some locations, however, show strain splitting of the 1s orthoexciton triplet polariton luminescence. Strain is reduced by annealing. In addition, annealing causes annihilation of oxygen and copper vacancies, which leads to a negative correlation between luminescence of unlike vacancies.
Enhanced diffusion of gold atoms into silicon substrate has been studied in Au thin films of various thicknesses (2.0, 5.3, 10.9 and 27.5 nm) deposited on Si(111) and followed by irradiation with 1.5 MeV Au2+ at a flux of 6.3x10^12 ions cm-2 s-1 and fluence up to 1x10^15 ions cm-2. The high resolution transmission electron microscopy measurements showed the presence of gold silicide formation for the above-mentioned systems at fluence greater than equal to 1x1014 ions cm-2. The maximum depth to which the gold atoms have been diffused at a fluence of 1x10^14 ions cm-2 for the cases of 2.0, 5.3, 10.9 and 27.5 nm thick films has been found to be 60, 95, 160 and 13 nm respectively. Interestingly, at higher fluence of 1x1015 ions cm-2 in case of 27.5 nm thick film, gold atoms from the film transported to a maximum depth of 265 nm in the substrate. The substrate silicon is found to be amorphous at the above fluence values where unusually large mass transport occurred. Enhanced diffusion has been explained on the basis of ion beam induced, flux dependent amorphous nature of the substrate, and transient beam induced temperature effects. This work confirms the absence of confinement effects that arise from spatially confined structures and existence of thermal and chemical reactions during ion irradiation.
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