Annealing Effect on Structural, Optical and Electrophysical Properties of ZnSe Nanocrystals Synthesized into SiO2/Si Ion Track Template.

We report the results of synthesis of zinc selenide (ZnSe) nanocrystals into SiO2/Si track templates formed by irradiation with 200 MeV Xe ions up to a fluence of 107 ions/cm2. Zinc selenide nanocrystals were obtained by chemical deposition from the alkaline aqueous solution. Scanning electron microscopy, X-ray diffractometry, Raman and photoluminescence spectroscopy, and electrical measurements were used for characterization of synthesized ZnSe/SiO2nanoporous/Si nanocomposites. XRD data for as-deposited precipitates revealed the formation of ZnSe nanocrystals with cubic crystal structure, spatial syngony F-43m (216). According to non-empirical calculations using GGA-PBE and HSE06 functionals, ZnSe crystal is a direct-zone crystal with a minimum bandgap width of 2.36 eV and anisotropic electronic distribution. It was found that a thermal treatment of synthesized nanocomposites at 800 °C results in an increase in ZnSe nanocrystallites size as well as an increase in emission intensity of created precipitates in a broad UV-VIS spectra range. However, vacuum conditions of annealing still do not completely prevent the oxidation of zinc selenide, and a formation of hexagonal ZnO phase is registered in the annealed samples. The current-voltage characteristics of the synthesized nanocomposites proved to have n-type conductivity, as well as increased conductivity after annealing.

Color Centers in BaFBr Crystals: Experimental Study and Theoretical Modeling.

This study presents theoretical and experimental investigations into the electron and hole color centers in BaFBr crystals, characterizing their electronic and optical properties. Stoichiometric BaFBr crystals grown by the Steber method were used in the experiments. Radiation defects in BaFBr crystals were created by irradiation with 147 MeV 84Kr ions with up to fluences of 1010-1014 ions/cm2. The formation of electron color centers (F(F-), F2(F-), F2(Br-)) and hole aggregates was experimentally established by optical absorption spectroscopy. Performed measurements are compared with theoretical calculations. It allows us to determine the electron transition mechanisms and investigate the processes involved in photoluminescence emission in Eu-doped BaFBr materials to enhance the understanding of the fundamental electronic structure and properties of electron and hole color centers formed in BaFBr crystals.

Electronic Structure of Mg-, Si-, and Zn-Doped SnO2 Nanowires: Predictions from First Principles.

We investigated the electronic structure of Mg-, Si-, and Zn-doped four-faceted [001]- and [110]-oriented SnO2 nanowires using first-principles calculations based on the linear combination of atomic orbitals (LCAO) method. This approach, employing atomic-centered Gaussian-type functions as a basis set, was combined with hybrid density functional theory (DFT). Our results show qualitative agreement in predicting the formation of stable point defects due to atom substitutions on the surface of the SnO2 nanowire. Doping induces substantial atomic relaxation in the nanowires, changes in the covalency of the dopant-oxygen bond, and additional charge redistribution between the dopant and nanowire. Furthermore, our calculations reveal a narrowing of the band gap resulting from the emergence of midgap states induced by the incorporated defects. This study provides insights into the altered electronic properties caused by Mg, Si, and Zn doping, contributing to the further design of SnO2 nanowires for advanced electronic, optoelectronic, photovoltaic, and photocatalytic applications.

Synthesis of Orthorhombic Tin Dioxide Nanowires in Track Templates.

Electrochemical deposition into a prepared SiO2/Si-p ion track template was used to make orthorhombic SnO2 vertical nanowires (NWs) for this study. As a result, a SnO2-NWs/SiO2/Si nanoheterostructure with an orthorhombic crystal structure of SnO2 nanowires was obtained. Photoluminescence excited by light with a wavelength of 240 nm has a low intensity, arising mainly due to defects such as oxygen vacancies and interstitial tin or tin with damaged bonds. The current-voltage characteristic measurement showed that the SnO2-NWs/SiO2/Si nanoheterostructure made this way has many p-n junctions.

Luminescence Properties of ZrO2: Ti Ceramics Irradiated with Electrons and High-Energy Xe Ions.

Samples of ZrO2 ceramics with different concentrations of impurity titanium ions were synthesized by mixing zirconium and titanium oxide powders in different mass ratios. The X-ray diffraction analysis was used to determine the phase composition, lattice parameters, and crystallite size of the ceramics with varying dopant concentrations. Upon irradiation of the samples with 220 MeV Xe ions to a fluence of 1010 ions/cm2, a decrease in the intensity of the pulsed cathodoluminescence band at 2.5 eV was observed. Additionally, ion irradiation resulted in the emergence of a new thermoluminescence peak at 450-650 K attributed to radiation-induced traps of charge carriers. Further analysis revealed that the thermoluminescence curves of samples irradiated with electrons and ions comprise a superposition of several elementary peaks. Notably, a complex non-monotonic dependence of cathodo- and thermoluminescence intensity on titanium concentration was observed, suggesting the influence of concentration quenching and the presence of tunneling transitions.

Unveiling the Structural and Optical Properties of MgAl2O4 Single Crystals Irradiated by Swift Heavy Ions.

A synthetic single crystal of magnesium-aluminate spinel was irradiated perpendicularly to the (111) plane with swift heavy xenon ions with an energy of 220 MeV. The modified layer was attested based on Raman scattering spectra recorded while focusing on the surface. A decrease in surface crystallinity was observed, reflected in the changes in fundamental optical characteristics such as the band gap and the energies of static and dynamic disorder. In this study, we demonstrate, along with the modification of optical characteristics and the formation of a disordered layer, the creation of new optically active centers. The luminescent properties of these centers were analyzed. The effect of temperature flare-up in the 3.4 eV band of the excitation spectrum was determined. The low sensitivity of Cr3+ luminescence to SHI is demonstrated.

Optical Characteristics of MgAl2O4 Single Crystals Irradiated by 220 MeV Xe Ions.

In In this study, the optical properties of magnesium-aluminate spinel were examined after being irradiated with 220 MeV Xe ions. The research aimed to simulate the impact of nuclear fuel fission fragments on the material. The following measurements were taken during the experiments: transmission spectra in the IR region (190-7000) nm, optical absorption spectra in the range (1.2-6.5) eV, and Raman spectra were measured along the depth of ion penetration from the surface to 30 µm. A peak with a broad shape at approximately 5.3 eV can be observed in the optical absorption spectrum of irradiated spinel crystals. This band is linked to the electronic color centers of F+ and F. Meanwhile, the band with a maximum at ~(3-4) eV is attributed to hole color centers. Apart from the typical Raman modes of an unirradiated crystal, additional modes, A1g* (720 cm-1), and Eg* (385 cm-1), manifested mainly as an asymmetric shoulder of the main Eg mode, are also observed. In addition, the Raman spectroscopy method showed that the greatest disordering of crystallinity occurs in the near-surface layer up to 4 µm thick. At the same time, Raman scattering spectroscopy is sensitive to structural changes almost up to the simulated value of the modified layer, which is an excellent express method for certifying the structural properties of crystals modified by swift heavy ions.

Paramagnetic Defects and Thermoluminescence in Irradiated Nanostructured Monoclinic Zirconium Dioxide.

The ESR spectra of nanostructured samples of monoclinic ZrO2 irradiated by electrons with energies of 130 keV, 10 MeV, and by a beam of Xe ions (220 MeV) have been studied. It has been established that irradiation of samples with electrons (10 MeV) and ions leads to the formation of radiation-induced F+ centers in them. Thermal destruction of these centers is observed in the temperature range of 375-550 K for electron-irradiated and 500-700 K for ion-irradiated samples. It is shown that the decrease in the concentration of F+ centers is associated with the emptying of traps responsible for thermoluminescence (TL) peaks in the specified temperature range. In the samples irradiated with an ion beam, previously unidentified paramagnetic centers with g = 1.963 and 1.986 were found, the formation of which is likely to involve Zr3+ ions and oxygen vacancies. Thermal destruction of these centers occurs in the temperature range from 500 to 873 K.