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.     

Effect of high-energy electron irradiation on forsterite laser crystals

The effect of 21-MeV electron irradiation on the optical absorption characteristics of Czochralski-grown forsterite (Mg₂SiO₄) single crystals (both undoped and chromium-doped) has been investigated. The irradiation is found to induce additional optical absorption (AOA) in the crystals in the range of 225–1200 nm due to the formation of color centers based on intrinsic host point defects and the change in the oxidation state of chromium ions. The AOA spectra have been decomposed into elementary bands. The influence of the chromium concentration in crystals, the oxygen content in the growth atmosphere, and additional doping with lithium on the behavior of these bands has been analyzed. A possible structure of the color centers responsible for the AOA is discussed. It is shown that the electron irradiation somewhat decreases the intensity of the characteristic absorption bands of tri- and tetravalent chromium ions and gives rise to a new absorption band in Mg₂SiO₄:Cr and Mg₂SiO₄:Cr,Li crystals heavily doped with chromium.     

Infrared electroluminescence from a Si MOS structure with Ge in the oxide

We report on room-temperature infrared electroluminescence (EL) from metal-oxide-semiconductor devices made from Si. We compare the luminescence from RF sputtered oxide films containing SiO₂ with and without Ge by using a composite target and luminescence from a SiO₂ layer made by rapid thermal oxidation. The sputtered films were annealed in the temperature range 600-900 °C. This densifies the films and is likely to reduce the concentration of defects. A luminescence peak located around 1150-1170 nm is observed at current densities as low as 0.1 A/cm². The corresponding photon energy is close to that of the Si band gap. In addition, we observe several broad luminescence bands in the range 1000-1750 nm. These bands get stronger with Ge in the SiO₂ film. Some of these bands have previously been suggested and are directly associated with Ge. Since we observe that the intensity is correlated with the presence of Ge while the mere presence of the bands is not, we discuss the EL bands being due to defects which concentration is influenced by Ge in the oxide.     

Minerals from Macedonia. XXII. Laser‐induced fluorescence bands in the FT‐Raman spectrum of almandine mineral

Two strong bands centered at 446 and 607 cm⁻¹ have been observed in the FT‐Raman spectrum of almandine [Fe₃Al₂(SiO₄)₃] excited with 1064 nm, which were completely absent in the corresponding dispersive Raman spectra obtained using 488, 514.5 and 532 nm excitation. Furthermore, the mentioned strong bands have not been registered in the anti‐Stokes side of the FT‐Raman spectrum, and were therefore assigned to laser‐induced fluorescence bands. Their appearance is related to the presence of rare‐earth element traces as impurities in the almandine sample. Additionally, the FT‐Raman (and dispersive Raman) spectrum of the isomorphous spessartine [Mn₃Al₂(SiO₄)₃] mineral has been introduced, which did not show the presence of these fluorescence emission bands. The purity of the minerals was confirmed by study of their powder X‐ray diffraction (PXRD) patterns. Copyright © 2008 John Wiley & Sons, Ltd.     

Levels in 156Gd studied in the (n, γ) reaction

Levels up to 2.3 MeV in ¹⁵⁶Gd have been studied using the (n, γ) reaction. Energies and intensities of low-energy γ-rays and electrons emitted after thermal neutron capture have been measured with a curved-crystal spectrometer, Ge(Li) detectors and a magnetic electron spectrometer. High-energy (primary) γ-rays and electrons have been measured with Ge(Li) detectors and a magnetic spectrometer. The high-energy γ-ray spectrum has also been measured in thermal neutron capture in 2 keV resonance neutron capture. The neutron separation energy in ¹⁵⁶Gd was measured as S_n = 8535.8 ± 0.5 keV.About 600 transitions were observed of which ~50% could be placed in a level scheme containing more than 50 levels up to 2.3 MeV excitation energy. 42 of these levels were grouped into 15 excited bands. In addition to the β-band at 1050 keV we observe 0⁺ bands at 1168, 1715 and 1851 keV. Other positive-parity bands are: 1⁺ bands at 1966, 2027 and 2187 keV; 2⁺ bands at 1154 (γ-band) and 1828 keV; and 4⁺ bands at 1511 and 1861 keV. Negative-parity bands are observed at 1243 keV (1^?), 1366 keV (0^?), 1780 keV (2^?) and 2045 keV (4^?). Reduced E2 and E0 transition probabilities have been derived for many transitions. The ground band, the β- and γ-bands and the 0⁺ band at 1168 keV have been included in a phenomenological four-band mixing calculation, which reproduces well the experimental energies and E2 transition probabilities.The lowest three negative-parity (octupole) bands of which the 0^? and the 1^? bands are very strongly mixed, were included in a Coriolis-coupling analysis, which reproduces well the observed energies. The E1 transition probabilities to the ground band are also well reproduced, while those from the higher-lying 0⁺ bands to the octupole bands are not reproduced. Absolute and relative transition probabilities have been compared with predictions of the IBA model and the pairingplus-quadrupole model. Both models reproduce well the E2 transitions from the γ-band, while strong disagreements are found for the E2 transitions from the β-band. The IBA model predicts part of the decay features of the higher lying 2⁺₂, 4⁺₁ and 2^?₁ bands.     

Raman spectroscopic investigation of pure and ytterbium‐doped rare earth silicate crystals

Raman spectroscopy was used to study the molecular structure of a series of selected rare earth (RE) silicate crystals including Y₂SiO₅ (YSO), Lu₂SiO₅ (LSO), (Lu_0.5Y_0.5)₂SiO₅ (LYSO) and their ytterbium‐doped samples. Raman spectra show resolved bands below 500 cm⁻¹ region assigned to the modes of SiO₄ and oxygen vibrations. Multiple bands indicate the nonequivalence of the RE O bonds and the lifting of the degeneracy of the RE ion vibration. Low intensity bands below 500 cm⁻¹ are an indication of impurities. The (SiO₄)⁴⁻ tetrahedra are characterized by bands near 200 cm⁻¹ which show a separation of the components of ν₄ and ν₂, in the 500–700 cm⁻¹ region which are attributed to the distorting bending vibration and in the 880–1000 cm⁻¹ region which are attributed to the symmetric and antisymmetric stretching vibrational modes. The majority of the bands in the 300–610 cm⁻¹ region of Re₂SiO₅ were found to arise from vibrations involving both Si and RE ions, indicating that there is considerable mixing of Si displacements with Si O bending modes and RE O stretching modes. The Raman spectra of RE silicate crystals were analyzed in terms of the molecular structure of the crystals, which enabled separation of the bands attributed to distinct vibrational units. Copyright © 2007 John Wiley & Sons, Ltd.     

Optical characterization of SiO2/Zn2SiO4:V nanocomposite obtained after the incorporation of ZnO:V nanoparticles in silica host matrix

Vanadium-doped Zn₂SiO₄ particles embedded in silica host matrix were prepared by a simple solid-phase reaction under natural atmosphere at 1200 °C after the incorporation of ZnO:V nanoparticles in silica monolith using sol-gel method with supercritical drying of ethyl alcohol in two steps. The obtained sample, exhibits a strong PL band in the visible range at 540 nm and two thin emission lines in the UV range at 394 and 396 nm under intensive power excitation. Photoluminescence excitation (PLE) measurements show different origins of the emission bands. It is suggested that radiative defects attributed to vanadium in the interfaces between Zn₂SiO₄ particles and SiO₂ host matrix resulting from heat treatment and zinc oxide excitonic emissions, were responsible for theses luminescence bands.     

Room-temperature synthesis of apatite-type lanthanum silicates by mechanically milling constituent oxides

Apatite-type lanthanum silicates have been successfully prepared at room temperature by dry milling hexagonal A−La₂O₃ and either amorphous or low cristobalite SiO₂. Milling a stochiometric mixture of these chemicals in a planetary ball mill with a moderate rotating speed (350 rpm), allows preparing the target phase in only 6 h although longer milling times are needed to eliminate all SiO₂ traces. The mechanically activated chemical reaction proceeds faster when using amorphous silica than low cristobalite as silicon source and pure phases are obtained after only 9 and 18 h respectively. As obtained powder phases are not amorphous and show an XRD pattern as well as IR and Raman bands characteristic of the lanthanum silicate.     

Temperature-dependent emission spectra of M2SiO4:Eu (M=Ca, Sr, Ba) phosphors for green and greenish white LEDs

The temperature dependence of emission spectra of alkaline earth ortho-silicates M₂SiO₄ (M=Ca, Sr, Ba) doped with Eu²⁺ ions is investigated. Two emission bands of Sr₂SiO₄:Eu²⁺ show the normal redshift with broadening bandwidth and decreasing emission intensity as an increase in temperature. On the other hand, emission bands of Ca₂SiO₄:Eu²⁺ and Ba₂SiO₄:Eu²⁺ show the anomalous blueshift with increasing temperature. For Ca₂SiO₄:Eu²⁺ and Ba₂SiO₄:Eu²⁺, the temperature dependence of the emission color can be described in terms of back tunneling from the excited state of low-energy emission band to the excited state of high-energy emission band in the configuration coordinate diagram. Our phosphors have a promising potential as phosphors for green or greenish white-light-emitting diode pumped by ultraviolet chip.     

Simulation of the electronic structure of simple oxides BeO and SiO2 and complex oxides Be2SiO4 and Be2SixGe1 ? xO4 with the phenacite structure

The ab initio numerical calculations of the electronic structure of simple oxides BeO and SiO₂ and complex oxides Be₂SiO₄ and Be₂Si _x Ge_{1 − x} O₄ with the phenacite structure have been performed using the electron density functional theory. The calculations indicate that the main feature of the systems under investigation is the presence of oxygen states in both the valence and conduction bands. The splitting of the bottom of the conduction band has been revealed in the electronic structure of the Be₂Si _x Ge_{1 − x} O₄ system. The splitting width is about 1.5 eV. The main contribution to the formation of a narrow subband of the conduction band comes from the 2s and 2p states of oxygen and the 4d state of germanium. Microscopic models of the spatial localization of the electron density on lower energy states of the conduction band of oxide crystals have been developed using the Wannier function technique. The reflection spectra of BeO, SiO₂, and Be₂SiO₄ have been analyzed. The reported calculations of the electronic structure imply the exciton nature of the 9.7-eV reflection peak in the Be₂SiO₄ crystal.     

非晶Si/SiO2超晶格结构的交流电致发光

设计并用磁控溅射方法制备了非晶Si/SiO     

Photoluminescence from amorphous silica nanowires synthesized using TiN/Ni/SiO2/Si and TiN/Ni/Si substrates

Photoluminescence characteristics of amorphous silica nanowires (a-SiONWs) grown on TiN/Ni/Si and TiN/Ni/SiO₂ substrates have been studied. A-SiONWs grown on TiN/Ni/Si substrates show a Si-rich composition compared to those grown from TiN/Ni/SiO₂/Si. The emission characteristics of the nanowires were found to depend on the type of substrate. By annealing the a-SiONWs grown on TiN/Ni/Si in air, emission bands shift from blue to green bands. It is likely that silicon to oxygen ratio is an important factor in deciding the types of defects and emission bands of amorphous silica nanowires.     

X-ray spectroscopic investigation of the electronic structure of α-quartz and stishovite (SiO2)

The silicon K and L_2,3 X-ray emission bands of stishovite (tetragonal SiO₂, 6:4 co-ordination) are reported and discussed along with the corresponding emission bands of α-quartz (hexagonal SiO₂, 4:2 co-ordination). While the shapes of the Si K-emission bands of stishovite and α-quartz differ considerably, those of the Si L_2,3-emission bands are similar. The measured spectra are compared with theoretical band structure calculations, and good overall agreement is found.     

Inverse opal based on a polymer filler and transformation of its optical characteristics

Opal-like photonic crystals based on opal and inverse opal, which exhibit shifts of selective reflection bands toward both the long-wavelength and short-wavelength ranges with respect to the diffraction band of the initial opal consisting of SiO₂ spheres, have been grown. The contributions from the skeletons forming three-dimensional periodic structures and from the fillers to the spectral position of diffraction bands have been determined.     

Room temperature visible light emission from Si/SiO2 multilayers: Roles of interface electronic states and silicon phase

We have studied luminescence properties and microstructure of 20 patterns Si/SiO₂ multilayers. The photoluminescence spectra consist of two gaussian bands in the visible-infrared spectral region. It has been demonstrated that the strong PL band is caused by the radiative recombination in the Si/SiO₂ interfaces states, whereas the weaker band originates from radiative recombination in the nanosized Si layers. The peak shift of this latter band shows a discontinuity that corresponds to a crystalline-to-amorphous phase change when the Si layers are thinner than 30 Å. The peak energy as a function of the layer thickness is interpreted using a quantum confinement model in the case of amorphous Si layers.     

Si-based nanoscale SiO2 islands and light-emitting source array

A SiO₂ nanoscale island array was fabricated on a Si substrate by using anodic porous alumina as a mask. Transmission electron microscopy observation and the atomic force microscopy pattern show that the arrangement of SiO₂ islands has a quasi-hexagonal symmetry. Ge ions with a dose of 1×10¹⁷ cm^-2 were subsequently implanted into the SiO₂ island array to form Ge-related light-emitting centers. The photoluminescence (PL) spectra of as-implanted and annealed samples show three PL bands at 370, 400 and 415 nm. Their intensities reach maximums in the sample with an annealing temperature of 700 °C. Spectral analysis suggests that the 370 and 415 nm PL bands arise from Ge-Ge and Ge-Si defect centers, while the 400 nm PL is related to GeO color centers in the SiO₂ islands. The existence of these PL bands indicates the formation of a Si-based nanoscale light source array. PACS 78.55.Mb; 42.72.Bj; 68.65.+g     

Effects of ion beam irradiation on self-trapped defects in single-crystal Lu2SiO5

Ion irradiation effects on emission bands related to self-trapped defects in Czochralski-grown Lu₂SiO₅ (LSO) crystals has been investigated. Irradiation was carried out using 53 keV He⁺ and 40 keV H⁺ beams with doses of 1 and 2×10¹⁶ atoms/cm², respectively, at room temperature. Post-irradiation radioluminescence measurements were carried out in the 5-300 K temperature range using Mo-target X-ray excitation. Two emission bands were observed at 256 and 315 nm and assigned to self-trapped excitons (STE) and self-trapped holes (STH), respectively. The intensity of the bands was determined by the ballistic damage induced by irradiation, and no effects due to the chemical nature of implanted species were observed. Thermal-quenching activation energies of these defects as a function of irradiation conditions were extracted by applying the Mott-Seitz two-level model. Each band presents strikingly different behavior following irradiation; activation energy of the STH increases two-fold whereas the STE decreases three-fold. The results indicate a major role of surface effects on the radioluminescence of LSO. For comparative purposes, irradiated Lu₂O₃ was also investigated.     

Optical properties of Ho-doped novel oxyfluoride glasses

Novel oxyfluoride glasses SiO₂-Al₂O₃-Na₂O-ZnF₂ doped with Ho³⁺ and Ho³⁺/Yb³⁺ were fabricated. The optical properties of the synthesized glasses were experimentally and theoretically investigated in detail. The experimental and calculated oscillator strengths of Ho³⁺ were determined by measurement of absorption spectrum of Ho³⁺-singly doped glass. According to the Judd-Ofelt theory, the Judd-Ofelt parameters were calculated, by which the radiative transition probabilities, fluorescence branching ratios and radiative lifetimes were obtained. Visible upconversion luminescence was observed under 980 nm diode laser excitation and the influence of Yb³⁺ concentration on the emission bands were also investigated. The dependence of the upconversion emission intensity upon the excitation power was examined, and the upconversion mechanisms were discussed.     

Effect of montmorillonite on abrasion resistance of SiO2-filled polybutadiene

The effect of organically modified montmorillonite (OMMT) and silane coupling agent on the abrasion resistance of SiO₂-filled butadiene rubber (BR) vulcanizates has been investigated. Various amounts of OMMT are added into SiO₂-filled BR vulcanizates. A silane coupling agent, bis-(3-triethoxysilyl propyl) tetrasulfide (Si69), is used to modify OMMT during the masterbatch preparation for evaluating the influence of surface treatment on the abrasion resistance. Incorporation of OMMT into BR results in deterioration of the abrasion resistance as compared to unfilled BR vulcanizate due to poor dispersion of OMMT and insufficient interfacial adhesion between OMMT and BR matrix. The use of Si69 improves dispersion of OMMT particles and rubber/OMMT adhesion, resulting in abrasion resistance enhancement of BR/OMMT vulcanizates. By using similar compounding conditions as those for BR/OMMT vulcanizate, nanodispersion of OMMT in BR/SiO₂/OMMT vulcanizate has been achieved as judged by the high viscosity of the SiO₂-filled BR compound. This improved dispersion leads to better abrasion resistance of the BR/SiO₂/OMMT than that of the BR/SiO₂ composite. Utilization of Si69 slightly affects the DIN volume loss of BR/SiO₂/OMMT vulcanizates and the abrasion pattern.     

Structural and magnetic properties of NiCuZn ferrite/SiO2 nanocomposites

Ni_0.53Cu_0.12Zn_0.35Fe₂O₄/SiO₂ nanocomposites with different weight percentages of NiCuZn ferrite dispersed in silica matrix were prepared by microwave-hydrothermal method using tetraethylorthosilicate as a precursor of silica, and metal nitrates as precursors of NiCuZn ferrite. The structure and morphology of the composites were studied using X-ray diffraction and scanning electron microscopy. The structural changes in these samples were characterized using Fourier Transform Infrared Spectrometer in the range of 400-1500 cm⁻¹. The bands in the range of 580-880 cm⁻¹ show a slight increase in intensity, which could be ascribed to the enhanced interactions between the NiCuZnFe₂O₄ clusters and silica matrix. The effects of silica content and sintering temperature on the magnetic properties of Ni_0.53Cu_0.12Zn_0.35Fe₂O₄/SiO₂ nanocomposites have been studied using electron spin resonance and vibrating sample magnetometer.