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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. [ABSTRACT FROM AUTHOR]

Today, BaFBr crystals activated by europium ions are used as detectors that store absorbed energy in metastable centers. In these materials, the image created by X-ray irradiation remains stable in the dark for long periods at room temperature. As a result, memory image plates are created, and they are extended to other types of ionizing radiation as well. Despite significant progress towards X-ray storage and readout of information, the mechanisms of these processes have not been fully identified to date, which has hindered the efficiency of this class of phosphors. In this study, using photoluminescence (PL), optical absorption (OA), Raman spectroscopy (RS), and atomic force microscopy (AFM), the luminescence of oxygen vacancy defects to BaFBr crystals irradiated with 147 MeV 84Kr and 24.5 MeV 14N ions at 300 K to fluences (1010–1014) ion/cm2 was investigated. BaFBr crystals were grown by the Shteber method on a special device. Energy-dispersive X-ray spectroscopy (EDX) analysis revealed the presence of Ba, Br, F, and O. The effect of oxygen impurities present in the studied crystals was considered. The analysis of the complex PL band, depending on the fluence and type of ions, showed the formation of three types of oxygen vacancy defects. Macrodefects (tracks) and aggregates significantly influence the luminescence of oxygen vacancy defects. The creation of hillocks and tracks in BaFBr crystals irradiated with 147 MeV 84Kr ions is shown for the first time. Raman spectra analysis confirmed that BaFBr crystals were amorphized by 147 MeV 84Kr ions due to track overlap, in contrast to samples irradiated with 24.5 MeV 14N ions. Raman and absorption spectra demonstrated the formation of hole and electron aggregate centers upon swift heavy ions irradiation. [ABSTRACT FROM AUTHOR]

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. [ABSTRACT FROM AUTHOR]

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. [ABSTRACT FROM AUTHOR]

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. [ABSTRACT FROM AUTHOR]

Indium tin oxide thin films were deposited by magnetron sputtering on ceramic aluminum nitride substrates and were annealed at temperatures of 500 °C and 600 °C. The structural, optical, electrically conductive and gas-sensitive properties of indium tin oxide thin films were studied. The possibility of developing sensors with low nominal resistance and relatively high sensitivity to gases was shown. The resistance of indium tin oxide thin films annealed at 500 °C in pure dry air did not exceed 350 Ohms and dropped by about 2 times when increasing the annealing temperature to 100 °C. Indium tin oxide thin films annealed at 500 °C were characterized by high sensitivity to gases. The maximum responses to 2000 ppm hydrogen, 1000 ppm ammonia and 100 ppm nitrogen dioxide for these films were 2.21 arbitrary units, 2.39 arbitrary units and 2.14 arbitrary units at operating temperatures of 400 °C, 350 °C and 350 °C, respectively. These films were characterized by short response and recovery times. The drift of indium tin oxide thin-film gas-sensitive characteristics during cyclic exposure to reducing gases did not exceed 1%. A qualitative model of the sensory effect is proposed. [ABSTRACT FROM AUTHOR]

Herein, the optical absorption, X‐ray diffraction (XRD) analysis data, and mechanical properties along the ion path are analyzed for gadolinium gallium garnet (Gd3Ga5O12 or GGG) single crystals irradiated with fast 84Kr ions to fluences of 1013–1014 ion cm−2. It is found that the optical absorption spectra of Czochralski‐grown unirradiated GGG crystal consist of relatively narrow lines in the UV spectral range associated with the 4f–4f transitions in Gd3+ ions. Transitions from the 6S7/2 ground state to the 6P, 6J, and 6D states in the Gd3+ cation are visible. An additional absorption band is also observed at 350 nm, which is associated with an uncontrolled Ca impurity. In irradiated GGG single crystals, a shift of the fundamental absorption edge by ≈30 nm to the long‐wavelength part of the spectrum is observed. The observed changes are caused by structural disturbances caused by depletion of the surface layer and an increase in the number of displaced atoms accompanied by an increase in the crystal lattice parameter. XRD analysis shows the presence of size effects and deformation of interplanar distances due to the displacement of atoms from the sites of the crystal lattice with subsequent migration. Hardness measurements show ion‐induced softening, which may be due to ion‐induced amorphization. [ABSTRACT FROM AUTHOR]

ZnSeO3 nanocrystals with an orthorhombic structure were synthesized by electrochemical and chemical deposition into SiO2/Si ion-track template formed by 200 MeV Xe ion irradiation with the fluence of 107 ions/cm2. The lattice parameters determined by the X-ray diffraction and calculated by the CRYSTAL computer program package are very close to each other. It was found that ZnSeO3 has a direct band gap of 3.8 eV at the Γ-point. The photoluminescence excited by photons at 300 nm has a low intensity, arising mainly due to zinc and oxygen vacancies. Photoluminescence excited by photons with a wavelength of 300 nm has a very low intensity, presumably due to electronic transitions of zinc and oxygen vacancies. [ABSTRACT FROM AUTHOR]

The synthesis of CdTe nanocrystals (NCs) is performed by electrochemical deposition into prepared ion tracks in a a‐SiO2/Si‐n template. As a result, CdTe NCs are obtained in a wurtzite (WZ) crystal phase. The measurement of the current–voltage characteristics shows that the CdTe (WZ NC)/SiO2/Si system obtained in this way has n‐type conductivity. Computer simulations using the CRYSTAL computer code show good agreement between experimental and calculated lattice parameters. The theoretical calculations also show that the crystal has a direct bandgap at the Γ point of the Brillouin zone. [ABSTRACT FROM AUTHOR]

The material response to SHI irradiation of simple oxides such as TiO2 is markedly different in the near surface volume than in the bulk. In this subsurface region, several tens of nanometers in thickness, the material exhibits a much higher sensitivity to damage creation. The enhanced sensitivity of the material in this region is related to the proximity of a free surface and not strongly dependent on electronic stopping power. At least for these materials, the assumption of cylindrical latent tracks is dubious and great care should be taken when inferring track radii from indirect techniques. Direct observation by TEM can also easily lead to grossly over estimated track radii when most standard specimen preparation techniques are employed. We suggest reduced internal pressure in the crystal in the vicinity of a free surface as the enabling factor for this enhanced sensitivity. Lower pressure leads to increased probability of a phase change due to elevated temperatures in the track core and volume expansion leads to the formation of hillock on the surface of the crystal. [ABSTRACT FROM AUTHOR]

First-principles density functional theory (DFT) is employed to study the electronic structure of oxygen and gallium vacancies in monoclinic bulk β-Ga2O3 crystals. Hybrid exchange–correlation functional B3LYP within the density functional theory and supercell approach were successfully used to simulate isolated point defects in β-Ga2O3. Based on the results of our calculations, we predict that an oxygen vacancy in β-Ga2O3 is a deep donor defect which cannot be an effective source of electrons and, thus, is not responsible for n-type conductivity in β-Ga2O3. On the other hand, all types of charge states of gallium vacancies are sufficiently deep acceptors with transition levels more than 1.5 eV above the valence band of the crystal. Due to high formation energy of above 10 eV, they cannot be considered as a source of p-type conductivity in β-Ga2O3. [ABSTRACT FROM AUTHOR]

A depth-resolved Raman spectroscopy technique was used to study the residual stress profiles in polycrystalline silicon nitride that was irradiated with Xe (167 MeV, 1 × 1011 cm−2 ÷ 4.87 × 1013 cm−2) and Bi (710 MeV, 1 × 1011 cm−2 ÷ 1 × 1013 cm−2) ions. It was shown that both the compressive and tensile stress fields were formed in the irradiated specimen, separated by a buffer zone that was located at a depth that coincided with the thickness of layer, amorphized due to multiple overlapping track regions. The compressive stresses were registered in a subsurface region, while at a greater depth, the tensile stresses were recorded and their levels reached the maximum value at the end of ion range. The size of the amorphous layer was evaluated from the dose dependence of the full width at half maximum (FWHM) (FWHM of the dominant 204 cm−1 line in the Raman spectra and scanning electron microscopy. [ABSTRACT FROM AUTHOR]

MgF2 with a rutile structure is important wide-gap optical material with numerous applications. We present and discuss the results of calculations for basic hole defects - interstitial F atoms (called also the colour H centers). This study is based on the large scale ab initio DFT calculations using hybrid B3PW exchange-correlation functional as implemented into CRYSTAL computer code. The electronic structure, atomic geometry, charge density distribution are calculated and compared with similar defects in CaF2 fluorite. It is shown that the H centers oriented nearly parallel to the (110) axis are energetically more favourable than those oriented along the (001) axis, in agreement with experiment. (© 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [ABSTRACT FROM AUTHOR]