Iron nanoparticles in amorphous SiO<Subscript>2</Subscript>: X-ray emission and absorption spectra

The local structure of the chemical bond of iron ions implanted into SiO₂ glasses (implantation energy, 100 keV; fluence, 1 × 10¹⁶ cm^?2) is investigated using x-ray emission and absorption spectroscopy. The Fe L x-ray emission and absorption spectra are analyzed by comparing them with the corresponding spectra of reference samples. It is established that iron nanoparticles implanted into the SiO₂ vitreous matrix are in an oxidized state. The assumption is made that the most probable mechanism of transformation of iron nanoparticles into an oxidized state during implantation involves the breaking of Si-O-Si bonds with the formation of Si-Si and Fe-O bonds.     

Energy band structure and X-ray spectra of phenakite Be<Subscript>2</Subscript>SiO<Subscript>4</Subscript>

The electronic structure of crystalline phenakite Be₂SiO₄ is investigated using x-ray emission spectroscopy (XES) (Be K _α XES, Si L _{2, 3} XES, O K _α XES) and x-ray absorption spectroscopy (XAS) (Be 1s XAS, Si 2p XAS, O 1s XAS). The energy band structure is calculated by the ab initio full-potential linearized augmented-plane-wave (FLAPW) method. The total and partial densities of states and the dispersion curves for the Be₂SiO₄ compound are presented. It is shown that the top of the valence band and the bottom of the conduction band of the Be₂SiO₄ compound are predominantly formed by the oxygen 2p states. According to the results obtained, the electron transition with the lowest energy supposedly can occur at the center of the Brillouin zone. The effective masses of electrons (0.5m _e ) and holes (3.0m _e ) for the Be₂SiO₄) compound are estimated.     

X-ray emission study of the electronic structure of nanocrystalline Al<Subscript>2</Subscript>O<Subscript>3</Subscript>

Valence states of metal ions and the phase composition of nanocrystalline Al₂O₃ (of the original oxide and the oxide irradiated by high-energy Fe⁺ ions) are studied by using x-ray emission Al L_{2, 3} and O Kα spectra. It is established that the shape of the Al L_{2, 3} spectra strongly changes as one goes from the original (bulk) Al₂O₃ to nanocrystalline oxide, while the O Kα spectra remain practically unchanged. Moreover, irradiation by high-energy Fe⁺ ions results in slight additional changes in the x-ray spectral characteristics of the aluminum oxides under study. The obtained experimental data are compared with the results of theoretical calculations of the electronic structure of α and γ phases of Al₂O₃ performed using the LDA formalism. Using the results of x-ray spectral studies, electronic structure calculations, and x-ray diffraction analysis, it is shown that the revealed spectral differences between the nanocrystalline state of aluminum oxide and the bulk material can be interpreted as a phase transition from the α phase to the γ phase of Al₂O₃ with an addition of bayerite.     

X-ray emission and X-ray photoelectron spectroscopic studies of fullerene fluoride C<Subscript>60</Subscript>F<Subscript>24</Subscript>

The structure of the fullerence fluoride C₆₀F₂₄ of the T _h symmetry contains two types of chemically different carbon atoms, namely, atoms of isolated double bonds and atoms of CF groups. X-ray photoelectron and x-ray emission spectroscopic studies of C₆₀F₂₄ revealed a difference in the widths of the x-ray bands corresponding to these types of atoms. Nonempirical quantum-chemical calculations performed for C₅₉NF ₂₄ ⁺ ions with a hole in the C 1s core level of the fullerence fluoride showed that the difference in the bandwidths may be due to the fact that the vibrational states of the system are different when 1s electrons are removed from chemically nonequivalent atoms.     

Electronic and optical properties of Fe<Subscript>2</Subscript>SiO<Subscript>4</Subscript> under pressure effect: ab initio study

We report first-principles studies the structural, electronic, and optical properties of the Fe₂SiO₄ fayalite in orthorhombic structure, including pressure dependence of structural parameters, band structures, density of states, and optical constants up to 30 GPa. The calculated results indicate that the linear compressibility along b axis is significantly higher than a and c axes, which is in agreement with earlier work. Meanwhile, the pressure dependence of the electronic band structure, density of states and partial density of states of Fe₂SiO₄ fayalite up to 30 GPa were presented. Moreover, the evolution of the dielectric function, absorption coefficient (α(ω)), reflectivity (R(ω)), and the real part of the refractive index (n(ω)) at high pressure are also presented.     

Electronic structure of FeSi<Subscript>2</Subscript>

The electronic structure of volume and film iron disilicides with crystal structure of the type of α leboit and fluorite was calculated using the linearized augmented plane-wave formalism. Joint and local partial densities of electronic states, x-ray emission spectra in different series of all inequivalent atoms of these phases, and photoelectron spectra for different excitation energies were obtained. γ-FeSi₂ was found to be, unlike α-FeSi₂, an unstable phase in both the volume and film realizations. X-ray L _2,3 emission spectra of silicon in the iron group disilicides NiSi₂, CoSi₂, and FeSi₂ were compared. NiSi₂, CoSi₂, and α-FeSi₂ exhibit transformation of the maximum in the near-Fermi region of the Si L _2,3 spectra as one crosses over from a bulk to a film sample. This transformation is closely connected with phase stability and may serve as a criterion of thermodynamic stability of the iron-group transition-metal disilicides.     

Casimir friction force between a SiO<Subscript>2</Subscript> probe and a graphene-coated SiO<Subscript>2</Subscript> substrate

The possibility of mechanical detection of Casimir friction with the use of a noncontact atomic force microscope is discussed. A SiO₂ probe tip located above a graphene-coated SiO₂ substrate is subjected to the frictional force caused by a fluctuating electromagnetic field produced by a current in graphene. This frictional force will create the bend of a cantilever, which can be measured by a modern noncontact atomic force microscope. Both the quantum and thermal contributions to the Casimir frictional force can be measured using this experimental setup. This result can also be used to mechanically detect Casimir friction in micro- and nanoelectromechanical systems.     

RETRACTED ARTICLE: Refractive-index tailoring and morphological evolutions in Gd<Subscript>2</Subscript>O<Subscript>3</Subscript>–SiO<Subscript>2</Subscript> and ZrO<Subscript>2</Subscript>–SiO<Subscript>2</Subscript> composite thin films

Refractive-index tailoring and morphological evolutions in two different thin film composite systems of gadolinia–silica (Gd₂O₃:SiO₂) and zirconia–silica (ZrO₂:SiO₂) deposited through reactive electron-beam codeposition processes are discussed in this research paper. For Gd₂O₃:SiO₂ the refractive-index tuning has been achieved from 1.45 to 2.18, whereas in the case of ZrO₂:SiO₂ the achieved tunable range is from 1.45 to 2.45 in the ultraviolet region. Under certain compositional mixings with lower silica fractions both the systems demonstrated relative microstructural and morphological densifications. Such evolutions were very successfully derived through phase-modulated ellipsometry and atomic force microscopy. The composition-dependent refractive-index tailoring and microstructural densifications have been investigated by adopting Tauc–Lorentz and single-effective-oscillator models. The morphological correlation functions have also very aptly supported such evolutions in these composite films. These experimental results indicate their favourable properties and applicability down to the extreme ultraviolet wavelength region of the electromagnetic spectrum. PACS 42.79.Wc; 78.66.-w; 78.20.Ci; 61.16.Ch; 42.70.-a;68.55.-a; 68.35.Bs; 81.15.Ef     

Imaging performance and light emission efficiency of Lu<Subscript>2</Subscript> SiO<Subscript>5</Subscript>:Ce (LSO:Ce) powder scintillator under X-ray mammographic conditions

The aim of the present study was to measure the imaging transfer characteristics and the luminescence efficiency (XLE) of a Lu₂SiO₅:Ce (LSO:Ce) powder scintillator for use in X-ray mammography detectors. An LSO:Ce powder scintillating screen, with a coating thickness of 25 mg/cm², was prepared in our laboratory. The imaging performance of the screen was assessed by experimental determination of the modulation transfer function (MTF) and the detective quantum efficiency (DQE) as well as single index image quality parameters such as noise equivalent pass band (Ne) and informational efficiency (n _I). A theoretical model, describing radiation and light transfer, was fitted to experimental MTF values in order to estimate optical properties of the scintillator. Screen irradiation was performed under exposure conditions employed in mammographic applications (27 kVp, 63 mAs). MTF was determined by the square wave response function (SWRF) method. Results showed that LSO:Ce exhibits high MTF and DQE values, which are comparable to those of the commercially used Gd₂O₂S:Tb. Considering our image quality parameters and luminescence efficiency results as well as the fast response of the LSO:Ce scintillator screen (40 ns), this material can be considered for use in X-ray mammographic detectors.     

Friction and wear properties of ZrO<Subscript>2</Subscript>/SiO<Subscript>2</Subscript> composite nanoparticles

In this article, the lubrication properties of ZrO₂/SiO₂ composite nanoparticles modified with aluminum zirconium coupling agent as additives in lubricating oil under variable applied load and concentration fraction were reported. It was demonstrated that the modified nanoparticles as additives in lubrication can effectively improve the lubricating properties. Under an optimized concentration of 0.1 wt%, the average friction coefficient was reduced by 16.24%. This was because the nanoparticles go into the friction zone with the flow of lubricant, and then the sliding friction changed to rolling friction with a result of the reduction of the friction coefficient.     

Preparation and investigation of composite SiO<Subscript>2</Subscript>-TiO<Subscript>2</Subscript> films

SiO₂-TiO₂ films [Si:Ti = 1:(0.06–2.3)] are obtained by the sol-gel method. The structural and photoluminescent properties of the films and powders heat-treated at different temperatures are studied. It is shown that after 700°C the composite consists of TiO₂ crystallites that are structurally similar to anatase and distributed in an amorphous SiO₂ matrix. The photoluminescence spectra have maxima at 450–500 nm. The photoluminescence intensity depends on the treatment temperature and TiO₂ content. __________ Translated from Zhurnal Prikladnoi Spektroskopii Vol. 74, No. 3, pp. 357–361, May–June, 2007.     

A computer study of the Raman spectra of the (GaN)<Subscript>129</Subscript>, (SiO<Subscript>2</Subscript>)<Subscript>86</Subscript>, and (GaN)<Subscript>54</Subscript>(SiO<Subscript>2</Subscript>)<Subscript>50</Subscript> nanoparticles

The Raman spectra of the (GaN)₁₂₉, (SiO₂)₈₆, and (GaN)₅₄(SiO₂)₅₀ nanoparticles were calculated using the molecular dynamics method. The spectrum of (SiO₂)₈₆ had three broad bands only, whereas the Raman spectrum of (GaN)₁₂₉ contained a large number of overlapping bands. The form of the Raman spectrum of (GaN)₅₄(SiO₂)₅₀ was determined by the arrangement of the GaN and SiO₂ components in it. The nanoparticle with a GaN nucleus had a continuous fairly smooth spectrum over the frequency range 0 ≤ ω ≤ 600 cm⁻¹, whereas the spectrum of the nanoparticle with a SiO₂ nucleus contained well-defined bands caused by vibrations of groups of atoms of different kinds and atoms of the same kind.     

Electronic structure of novel multiple-band superconductor SrPt<Subscript>2</Subscript>As<Subscript>2</Subscript>

The electronic structure of the recently discovered superconductor SrPt₂As₂ with T _c = 5.2 K has been calculated in the local-density approximation. Despite its chemical composition and crystal structure are somehow similar to FeAs-based high-temperature superconductors, the electronic structure of SrPt₂As₂ is very much different. The crystal structure is orthorhombic (or tetragonal if idealized) and has layered nature with alternating PtAs₄ and AsPt₄ tetrahedra slabs sandwiched with Sr ions. The Fermi level is crossed by Pt-5d states with rather strong admixture of As-4p states. Fermi surface of SrPt₂As₂ is essentially three-dimensional, with complicated sheets corresponding to multiple bands. We compare SrPt₂As₂ with 1111 and 122 representatives of FeAs-class of superconductors, as well as with isovalent (Ba,Sr)Ni₂As₂ superconductors. Brief discussion of superconductivity in SrPt₂As₂ is also presented.     

Electronic excitations in BeAl<Subscript>2</Subscript>O<Subscript>4</Subscript>, Be<Subscript>2</Subscript>SiO<Subscript>4</Subscript>, and Be<Subscript>3</Subscript>Al<Subscript>2</Subscript>Si<Subscript>6</Subscript>O<Subscript>18</Subscript> crystals

Low-temperature (T = 7 K) time-resolved selectively photoexcited luminescence spectra (2–6 eV) and luminescence excitation spectra (8–35 eV) of wide-bandgap chrysoberyl BeAl₂O₄, phenacite Be₂SiO₄, and beryl Be₃Al₂Si₆O₁₈ crystals have been studied using time-resolved VUV spectroscopy. Both the intrinsic luminescence of the crystals and the luminescence associated with structural defects were assigned. Energy transfer to impurity luminescence centers in alexandrite and emerald was investigated. Luminescence characteristics of stable crystal lattice defects were probed by 3.6-MeV accelerated helium ion beams.     

The effect of packing density on luminescence of amorphous SiO<Subscript>2</Subscript> nanoparticles

Photoluminescence of amorphous SiO₂ nanoparticles compressed in the form of tablets is studied under exposure to UV radiation. The observed luminescence spectrum is a broad band extending from the excitation wavelength to 700 nm and with a maximum at ~470 nm. The spectrum can be decomposed into two Gaussian components with maxima at ~460 and ~530 nm. As the pressure applied for sample preparation increases, the integrated intensities of these bands change in opposite directions—the intensity of the short-wavelength band increases, while that of the long-wavelength band decreases. It is concluded that these bands are due to different luminescence centers of silicon dioxide located on the surface and in the bulk of SiO₂ nanoparticles.     

Acoustogyration diffraction of optical waves: case of SiO<Subscript>2</Subscript> and TeO<Subscript>2</Subscript> crystals

Interaction of acoustic and light waves with accounting for elastooptic and elastogyration effects is theoretically described. Collinear acoustogyration diffraction in quartz and paratellurite crystals is experimentally investigated and thoroughly analyzed. Piezogyration effect is experimentally studied for TeO₂ crystals. The acoustogyration efficiency and the acoustogyration figure of merit calculated for a number of crystals (GaAs, TeO₂ and SiO₂) are shown to be too small for experimental detection. On the other hand, we demonstrate that the light diffraction at periodical distribution of the imaginary part of dielectric permittivity related to the piezogyration effect should, in principle, be observed for the case of interaction of optical waves with enantiomorphous ferroelastic domain structure and in cholesteric liquid crystals.     

Mössbauer studies of magnetic Fe<Subscript>2</Subscript>O<Subscript>3</Subscript>/SiO<Subscript>2</Subscript> nanocomposites

A large variety of glass and glass ceramics may be obtained by sol-gel process from hydrolysis of tetraethoxysilane. The transformation involves hydrolysis and polycondensation reactions leading to the growth of clusters that eventually collide together to form a gel. The structure and properties of the final product have been found to be strongly dependent on the initial conditions of preparation. Silica nanocomposites based on Fe₂O₃/SiO₂ were prepared with the help of ultrasonic activation and subsequent annealing in nitrogen atmosphere or air with concentrations of iron oxide of about 20 to 30wt.%.     

Fabrication and structural characterization of Mg<Subscript>2</Subscript>SiO<Subscript>4</Subscript> nanowires

This article demonstrates the first reported successful synthesis of Mg₂SiO₄ nanowires. We have thermally heated Au-coated Si substrates, using a quartz tube with its inner surface pre-coated with MgO nanostructures. We have characterized the sample morphologies by using scanning electron microscopy and transmission electron microscopy (TEM). X-ray diffraction analysis and high-resolution TEM observation coincidentally revealed that the nanowires were crystalline with an orthorhombic Mg₂SiO₄ structure. We have discussed the possible growth mechanism of Mg₂SiO₄ nanowires. PACS 81.07.-b; 81.05.Zx; 61.10.Nz; 68.37.Hk; 68.37.Lp     

Electronic structure,ferroelectricity and optical properties of CaBi<Subscript>2</Subscript>Ta<Subscript>2</Subscript>O<Subscript>9</Subscript>

Using first-principles calculations based on density-functional theory in its local-density approximation, we investigated the Electronic structure, ferroelectricity and optical properties of CaBi₂Ta₂O₉ (CBT) for the first time. It is found that CBT compound has an indirect band gap of 3.114 eV and the O 2s and 2p states are strongly hybridized with the 6s states of Bi which belong to the (Bi₂O₂)²⁺ planes. The quite strong Ta–O and Bi–O hybridization is the primary source for ferroelectricity. Our results imply that the interaction between Bi and O is highly covalent. The anisotropy occurs mainly above 4 eV in the optical properties. The different optical properties have been discussed.