Point Defects in Silicon-Doped ß-Ga2O3: Hybrid-DFT Calculations.

In this work, hybrid density functional theory calculations are used to evaluate the structural and electronic properties and formation energies of Si-doped ß-Ga2O3. Overall, eight interstitial (Sii) and two substitutional (SiGa) positions are considered. In general, our results indicate that the formation energy of such systems is significantly influenced by the charge state of the defect. It is confirmed that it is energetically more favorable for the substitution process to proceed under Ga-poor growth conditions than under Ga-rich growth conditions. Furthermore, it is confirmed that the formation of SiGaI with a tetrahedral coordination geometry is more favorable than the formation of SiGaII with an octahedral one. Out of all considered interstitial positions, due to the negative formation energy of the Si +3 charge state at i8 and i9 interstitial positions over the wide range of Fermi energy, this type of defect can be spontaneously stable. Finally, due to a local distortion caused by the presence of the interstitial atom as well as its charge state, these systems obtain a spin-polarized ground state with a noticeable magnetic moment.

X-ray Photoelectron Spectroscopy Analysis of Scandia-Ceria-Stabilized Zirconia Composites with Different Transport Properties.

This work aims to study a possible modification in the electronic structure of scandia-ceria-stabilized zirconia (10Sc1CeSZ) ceramics sintered at different temperatures. In addition to using X-ray diffraction (XRD), scanning electron microscopy (SEM) and impedance spectroscopy to investigate the structural and electrical properties, we employed X-ray photoelectron spectroscopy (XPS) to determine the chemical state information of the atoms involved, along with compositional analysis. As expected, a significant increase in grain ionic conductivity with the sintering temperature was present. This increase was accompanied by a decrease in the porosity of the samples, an increase in the grain size, and a transformation from the rhombohedral to the cubic phase. The phase transformation was detected not only using XRD, but also using XPS and, for this type of ceramic, XPS detected this transformation for the first time. In addition to the changes in the structural characteristics, the increase in the ionic conductivity was accompanied by a modification in the electronic structure of the ceramic surface. The XPS results showed that the surface of the ceramic sintered at the lower temperature of 1100 °C had a higher amount of Zr-OH bonds than the surface of the ceramic sintered at the higher temperature of 1400 °C. The existence of these Zr-OH bonds was confirmed using Fourier-transform infrared spectroscopy (FTIR). From this result, taken together with the difference between the oxygen/zirconium ratios in these ceramics, also identified using XPS, we conclude that there were fewer oxygen vacancies in the ceramic sintered at the lower temperature. It is argued that these two factors, together with the changes in the structural characteristics, have a direct influence on the conductive properties of the studied ceramics sintered at different temperatures.

Upper critical field and superconductor-metal transition in ultrathin niobium films.

Recent studies suggest that in disordered ultrathin films superconducting (SC) state may be intrinsically inhomogeneous. Here we investigate the nature of SC state in ultrathin Nb films, of thickness d ranging from 1.2 to 20 nm, which undergo a transition from amorphous to polycrystalline structure at the thickness [Formula: see text] nm. We show that the properties of SC state are very different in polycrystalline and amorphous films. The upper critical field ([Formula: see text]) is orbitally limited in the first case, and paramagnetically limited in the latter. The magnetic field induced superconductor-metal transition is observed, with the critical field approximately constant or decreasing as a power-law with the film conductance in polycrystalline or amorphous films, respectively. The scaling analysis indicates distinct scaling exponents in these two types of films. Negative contribution of the SC fluctuations to conductivity exists above [Formula: see text], particularly pronounced in amorphous films, signaling the presence of fluctuating Cooper pairs. These observations suggest the development of local inhomogeneities in the amorphous films, in the form of proximity-coupled SC islands. An usual evolution of SC correlations on cooling is observed in amorphous films, likely related to the effect of quantum fluctuations on the proximity-induced phase coherence.

Experimental study of EUV mirror radiation damage resistance under long-term free-electron laser exposures below the single-shot damage threshold.

The durability of grazing- and normal-incidence optical coatings has been experimentally assessed under free-electron laser irradiation at various numbers of pulses up to 16 million shots and various fluence levels below 10% of the single-shot damage threshold. The experiment was performed at FLASH, the Free-electron LASer in Hamburg, using 13.5 nm extreme UV (EUV) radiation with 100 fs pulse duration. Polycrystalline ruthenium and amorphous carbon 50 nm thin films on silicon substrates were tested at total external reflection angles of 20° and 10° grazing incidence, respectively. Mo/Si periodical multilayer structures were tested in the Bragg reflection condition at 16° off-normal angle of incidence. The exposed areas were analysed post-mortem using differential contrast visible light microscopy, EUV reflectivity mapping and scanning X-ray photoelectron spectroscopy. The analysis revealed that Ru and Mo/Si coatings exposed to the highest dose and fluence level show a few per cent drop in their EUV reflectivity, which is explained by EUV-induced oxidation of the surface.