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At least 685 records · Page 38

Effect of Tb{sup 3+} concentration on the optical and vibrational properties of YBO{sub 3} tri-doped with Eu{sup 3+}, Ce{sup 3+}, and Tb{sup 3+}

Structural and optical studies are reported of yttrium orthoborate YBO{sub 3} when tri-doped with Eu{sup 3+}, Ce{sup 3+}, and Tb{sup 3+}, focusing on the role of terbium concentration. Incorporation of Tb{sup 3+} affects emission properties for photoluminescence (PL) excited by near ultraviolet light. For constant cerium and europium concentrations, increasing the Tb{sup 3+} results in diminished PL from the Ce{sup 3+} and Tb{sup 3+} color centers. Simultaneously, the PL excitation bands related to both Ce{sup 3+} and Tb{sup 3+} increase in intensity for red emission from the Eu{sup 3+}. Results are consistent with a Ce{sup 3+} → (Tb{sup 3+}){sub n} → Eu{sup 3+} energy transfer scheme, where (Tb{sup 3+}){sub n} denotes a chain incorporating n terbium ions. A high red to orange PL intensity ratio is obtained, ranging from 1.34 to 2.09. Raman vibrational bands show a systematic change, with Tb{sup 3+} concentration, in the B{sub 3}O{sub 9} ring terminal oxygen bending mode coordinated with the yttrium site where dopant ions substitute. The structural changes are interpreted as variations in the local neighborhood of these sites in the YBO{sub 3}:Ce{sup 3+},Tb{sup 3+},Eu{sup 3+} crystal structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Complete elastic constants of α−BaB{sub 2}O{sub 4}: Resonant ultrasound spectroscopy versus Schaefer-Bergmann diffraction

We utilized both resonant ultrasound spectroscopy (RUS) and Schaefer-Bergmann diffraction patterns (SBDP) to measure the elastic stiffness coefficients of the trigonal, non-piezo-electric crystal α−BaB{sub 2}O{sub 4}. RUS determines the elastic coefficients of a sample by matching measured resonant frequencies to a model of resonances. SBDP deduces the elastic coefficients by fitting the measured shape of the acousto-optic diffraction pattern to an acoustic slowness surface cross-section. We present our measured elastic coefficients of α−BaB{sub 2}O{sub 4} from both RUS and SBDP experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Dynamics of lithium ions in borotellurite mixed former glasses: Correlation between the characteristic length scales of mobile ions and glass network structural units

We have studied the mixed network former effect on the dynamics of lithium ions in borotellurite glasses in wide composition and temperature ranges. The length scales of ion dynamics, such as characteristic mean square displacement and spatial extent of sub-diffusive motion of lithium ions have been determined from the ac conductivity and dielectric spectra, respectively, in the framework of linear response theory. The relative concentrations of different network structural units have been determined from the deconvolution of the FTIR spectra. A direct correlation between the ion dynamics and the characteristic length scales and the relative concentration of BO{sub 4} units has been established for different compositions of the borotellurite glasses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Role of defects in the process of graphene growth on hexagonal boron nitride from atomic carbon

Hexagonal boron nitride (h-BN) is an attractive substrate for graphene, as the interaction between these materials is weak enough for high carrier mobility to be retained in graphene but strong enough to allow for some epitaxial relationship. We deposited graphene on exfoliated h-BN by molecular beam epitaxy (MBE), we analyzed the atomistic details of the process by ab initio density functional theory (DFT), and we linked the DFT and MBE results by random walk theory. Graphene appears to nucleate around defects in virgin h-BN. The DFT analysis reveals that sticking of carbon to perfect h-BN is strongly reduced by desorption, so that pre-existing seeds are needed for the nucleation. The dominant nucleation seeds are C{sub N}C{sub B} and O{sub N}C{sub N} pairs and B{sub 2}O{sub 3} inclusions in the virgin substrate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NIR to visible upconversion emission in Tm{sup 3+} doped Na{sub 2}Y{sub 2}B{sub 2}O{sub 7} powder phosphor

Tm{sup 3+} ions doped Na{sub 2}Y{sub 2}B{sub 2}O{sub 7} powder phosphor has been synthesized through combustion method. Crystal structure and phase of the prepared sample have been investigated by powder X-ray diffraction (XRD) analysis. Upconversion emission bands in the 400-900 nm range under the excitation of 980nm diode laser have been acquired, and involved upconversion mechanism has been discussed with the help of a suitable energy level diagram. The colour coordinate of developed phosphor has been calculated by CIE chromaticity diagram. Present phosphor can be used in fabrication of upconverting LEDs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Structural and optical characterization of Er{sup 3+} doped zinc telluroborate glasses for green laser applications

A new series of Erbium doped Zinc telluroborate glasses were prepared by melt quenching technique. The stretching and bending vibrations of the B–O and Te–O bonds in the prepared glass network were explored through Raman spectra. The nature of the metal-ligand bond was determined using optical absorption spectra through Nephelauxetic ratio (β) and Bonding parameter (δ) studies. The Judd-Ofelt (JO) parameters (Ω{sub 2}, Ω{sub 4}, Ω{sub 6}) and the oscillator strengths were calculated following JO theory. The relatively higher Ω{sub 2} values reveal the higher asymmetry nature. The green emission corresponding to the {sup 2}H{sub 11/2}+{sup 4}S{sub 3/2}→{sup 4}I{sub 15/2} transition was observed at around 550 nm and the luminescence quenching occurs beyond 1.0 wt% of Erbium ion concentration. Radiative properties for the 1.0EZTB glass are found to be higher and its suitability towards green laser applications were discussed and reported.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Investigations on optical properties of Sm{sup 3+} ion doped boro-phosphate glasses

The Sm{sup 3+} doped Boro-phosphate glasses with the chemical composition 60H{sub 3}BO{sub 3}+20Li{sub 2}CO{sub 3}+10ZnO+(10−x) H{sub 6}NO{sub 4}P+xSm{sub 2}O{sub 3} (where x= 0.1, 0.5, 1 and 2 in wt%) have been prepared by melt quenching technique. The prepared glasses were characterized through optical absorption and luminescence spectral measurements. The band gap energies corresponding to the direct and indirect allowed transitions and the Urbach’s energy values were estimated from the absorption spectra. Judd-Ofelt intensity parameters have been derived to predict the radiative properties of the various emission transitions. In order to identify the emission color of the prepared glasses, the emission intensities were analyzed using CIE 1931 color chromaticity diagram. The energy transfer process takes place between Sm{sup 3+}−Sm{sup 3+} ions through cross-relaxation mechanism have also been investigated and the results were discussed and reported.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Revised calibration of the Sm:SrB{sub 4}O{sub 7} pressure sensor using the Sm-doped yttrium-aluminum garnet primary pressure scale

The pressure-induced shift of Sm:SrB{sub 4}O{sub 7} fluorescence was calibrated in a quasi-hydrostatic helium medium up to 60 GPa using the recent Sm-doped yttrium-aluminum garnet primary pressure scale as a reference. The resulting calibration can be written as P = −2836/14.3 [(1 + Δλ/685.51){sup −14.3 }− 1]. Previous calibrations based on the internally inconsistent primary scales are revised, and, after appropriate correction, found to agree with the proposed one. The calibration extended to 120 GPa was also performed using corrected previous data and can be written as P = 4.20 Δλ (1 + 0.020 Δλ)/(1 + 0.036 Δλ)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Non-equilibrium dynamics in disordered materials: Ab initio molecular dynamics simulations

The dynamic properties of liquid B{sub 2}O{sub 3} under pressure and highly-charged bromophenol molecule are studied by using molecular dynamics (MD) simulations based on density functional theory (DFT). Diffusion properties of covalent liquids under high pressure are very interesting in the sense that they show unexpected pressure dependence. It is found from our simulation that the magnitude relation of diffusion coefficients for boron and oxygen in liquid B{sub 2}O{sub 3} shows the anomalous pressure dependence. The simulation clarified the microscopic origin of the anomalous diffusion properties. Our simulation also reveals the dissociation mechanism in the coulomb explosion of the highly-charged bromophenol molecule. When the charge state n is 6, hydrogen atom in the hydroxyl group dissociates at times shorter than 20 fs while all hydrogen atoms dissociate when n is 8. After the hydrogen dissociation, the carbon ring breaks at about 100 fs. There is also a difference on the mechanism of the ring breaking depending on charge states, in which the ring breaks with expanding (n = 6) or shrink (n = 8)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A first-principles study on the B{sub 5}O{sub 5}{sup +/0} and B{sub 5}O{sub 5}{sup −} clusters: The boron oxide analogs of C{sub 6}H{sub 5}{sup +/0} and CH{sub 3}Cl

The concept of boronyl (BO) and the BO/H isolobal analogy build an interesting structural link between boron oxide clusters and hydrocarbons. Based upon global-minimum searches and first-principles electronic structural calculations, we present here the perfectly planar C{sub 2v} B{sub 5}O{sub 5}{sup +} (1, {sup 1}A{sub 1}), C{sub 2v} B{sub 5}O{sub 5} (2, {sup 2}A{sub 1}), and tetrahedral C{sub s} B{sub 5}O{sub 5}{sup −} (3, {sup 1}A′) clusters, which are the global minima of the systems. Structural and molecular orbital analyses indicate that C{sub 2v} B{sub 5}O{sub 5}{sup +} (1) [B{sub 3}O{sub 3}(BO){sub 2}{sup +}] and C{sub 2v} B{sub 5}O{sub 5} (2) [B{sub 3}O{sub 3}(BO){sub 2}] feature an aromatic six-membered boroxol (B{sub 3}O{sub 3}) ring as the core with two equivalent boronyl terminals, similar to the recently reported boronyl boroxine D{sub 3h} B{sub 6}O{sub 6} [B{sub 3}O{sub 3}(BO){sub 3}]; whereas C{sub s} B{sub 5}O{sub 5}{sup −} (3) [B(BO){sub 3}(OBO){sup −}] is characterized with a tetrahedral B{sup −} center, terminated with three BO groups and one OBO unit, similar to the previously predicted boronyl methane T{sub d} B{sub 5}O{sub 4}{sup −} [B(BO){sub 4}{sup −}]. Alternatively, the 1–3 clusters can be viewed as the boron oxide analogs of phenyl cation C{sub 6}H{sub 5}{sup +}, phenyl radical C{sub 6}H{sub 5}, and chloromethane CH{sub 3}Cl, respectively. Chemical bonding analyses also reveal a dual three-center four-electron (3c-4e) π hyperbond in C{sub s} B{sub 5}O{sub 5}{sup −} (3). The infrared absorption spectra of B{sub 5}O{sub 5}{sup +} (1), B{sub 5}O{sub 5} (2), and B{sub 5}O{sub 5}{sup −} (3) and anion photoelectron spectrum of B{sub 5}O{sub 5}{sup −} (3) are predicted to facilitate their forthcoming experimental characterizations. The present work completes the B{sub n}O{sub n}{sup +/0/−} series for n = 1–6 and enriches the analogous relationship between boron oxides and hydrocarbons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of the tetrahedral groups on the optical properties of LaBRO{sub 5} (R = Si and Ge): A first-principles study

As potential candidates for deep-UV nonlinear optical (NLO) crystals, borosilicates and borogermanates, which contain NLO-active groups such as B-O, Si-O, and Ge-O groups, have fascinated many material scientists' research enthusiasm. In this paper, the electronic structures and optical properties of two isostructural noncentrosymmetric crystals LaBRO{sub 5} (R = Si and Ge) have been studied by the first-principles method. Combined with the analyses of the SHG-density and the localized electron-density difference, contributions of the constituent tetrahedra to the total NLO responses are investigated. Eventually, BO{sub 4} and GeO{sub 4} groups give nearly equal contributions to the SHG effect of LaBGeO{sub 5}, but for LaBSiO{sub 5}, SiO{sub 4} groups express stronger SHG response than that of BO{sub 4}. Such interesting conclusion is consistent with the distortion index analyses and dipole moment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Electron affinity of cubic boron nitride terminated with vanadium oxide

A thermally stable negative electron affinity (NEA) for a cubic boron nitride (c-BN) surface with vanadium-oxide-termination is achieved, and its electronic structure was analyzed with in-situ photoelectron spectroscopy. The c-BN films were prepared by electron cyclotron resonance plasma-enhanced chemical vapor deposition employing BF{sub 3} and N{sub 2} as precursors. Vanadium layers of ∼0.1 and 0.5 nm thickness were deposited on the c-BN surface in an electron beam deposition system. Oxidation of the metal layer was achieved by an oxygen plasma treatment. After 650 °C thermal annealing, the vanadium oxide on the c-BN surface was determined to be VO{sub 2}, and the surfaces were found to be thermally stable, exhibiting an NEA. In comparison, the oxygen-terminated c-BN surface, where B{sub 2}O{sub 3} was detected, showed a positive electron affinity of ∼1.2 eV. The B{sub 2}O{sub 3} evidently acts as a negatively charged layer introducing a surface dipole directed into the c-BN. Through the interaction of VO{sub 2} with the B{sub 2}O{sub 3} layer, a B-O-V layer structure would contribute a dipole between the O and V layers with the positive side facing vacuum. The lower enthalpy of formation for B{sub 2}O{sub 3} is favorable for the formation of the B-O-V layer structure, which provides a thermally stable surface dipole and an NEA surface.

36 MATERIALS SCIENCE↗

Radiation effects on optical and structural properties of GG17 Glasses induced by 170 keV electrons and protons

The effects of 170 keV electron and proton irradiation are investigated on the optical property and the structure of GG17-type borosilicate glasses for the purpose of assessing the suitability of this material for the rubidium lamp envelope, based on GEANT4 simulating calculation, using electron paramagnetic resonance and Fourier transform infrared spectra and optical-transmittance measurements. The Micro-mechanisms on damage of GG17 Glasses are clarified for electron and proton, respectively. For the electron with the energy of 170 keV, defect creation is due to ionization energy losses and the center is mainly boron oxygen hole center (BOHC) formed by one hole trapped on a bridge oxygen structure with [BO{sub 4}]{sup −}. As a result the number of BOHCs grows as the electron fluence increases. However, for the proton with the energy of 170 keV, the creation of structural defects dominates by means of debonding as a result of an atom having been kicked off the structural chain (displacement effect). This leads to the intensive generation of silicon oxygen hole centers, as well as BOHCs, by the holes trapped on non-bridge oxygen.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Characterization and optical properties of Fe{sub 2}O{sub 3}-PbO-B{sub 2}O{sub 3} glasses

Heavy metal-based oxide glasses of compositions xFe{sub 2}O{sub 3}.(40-x)PbO.60B{sub 2}O{sub 3} have been synthesized by the standard melt-quenching technique. The amorphous nature of these samples is ascertained by XRD patterns. Scanning Electron Microscope is used to study the microstructure of the samples. The absorption edge (λ{sub cut-off}) shifts toward longer wavelengths with an increase in Fe{sub 2}O{sub 3} content in the glass matrix. Study of absorption edge signifies the glassy nature of the samples. The values of optical band gap energy for indirect allowed and forbidden transitions have been determined and it is found that it decreases with increasing Fe{sub 2}O{sub 3} content. The Urbach’s energy is used to characterize the degree of disorder in the studied samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DSC and optical studies on BaO-Li{sub 2}O-B{sub 2}O{sub 3}-CuO glass system

Glasses with composition 15BaO-25Li{sub 2}O-(60-x)B{sub 2}O{sub 3} -xCuO (x= 0, 0.2, 0.4, 0.6, 0.8 and 1 mol%) were prepared by the conventional melt quenching technique. These glasses were characterized using X-ray diffraction (XRD), differential scanning calorimetry (DSC) and density measurements. Optical absorption studies were carried out as a function of copper ion concentration. The optical absorption spectra of studied glasses containing copper oxide exhibit a single broad band around 761nm which has been assigned to the 2B{sub 1g}→2B{sub 2g} transition. From these studies, the variations in the values of glass transition temperature (T{sub g}) have been observed. The fundamental absorption edge has been determined from the optical absorption spectra. The values of optical band gap and Urbach energy were determined with increase in concentration of CuO. The variations in density, glass transition temperature, optical band gap and Urbach energy with CuO content have been discussed in terms of changes in the glass structure. The analysis of these results indicated that copper ions mostly exist in Cu{sup 2+} state in these glasses when the concentration of CuO ≤ 0.8 mol% and above this concentration copper ions seem to subsist in Cu{sup 1+} state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Investigation of thermoluminescence and kinetic parameters of CaMgB{sub 2}O{sub 5}: Dy{sup 3+} nanophosphor

In this paper, thermoluminescence (TL) properties of Dy{sup 3+} (1.5 mol %) doped CaMgB{sub 2}O{sub 5} nanophosphor after being exposed to ultraviolet (UV) radiations (λ=254nm) were investigated. In UV exposed samples, the thermoluminescence glow curve consists of a broad glow peak located at 380 K with a small shoulder at 507 K. A shift in glow peak temperature from 367 K to 380 K after the UV exposure for 80 min was observed, which clearly shows that glow peaks follow the second order kinetics. The TL intensity of the peaks increases with an increase in the exposure time of UV rays (10-180 min). The TL Anal program was used to analyze the glow curve. The kinetic parameters such as activation energy (E), the frequency factor (s) and the order of kinetics (b) were calculated for CaMgB{sub 2}O{sub 5}: Dy{sup 3+} nanophosphors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Preparation and stress evolution of sol–gel SiO{sub 2} antireflective coatings for small-size anisotropic lithium triborate crystals

Lithium triborate (LiB{sub 3}O{sub 5}, LBO) crystal is now one of the most useful nonlinear optical materials for frequency conversion of high power lasers. The use of the crystal, however, has been hampered by the unavailability of antireflective (AR) coatings with high laser damage resistance. In this work, a “point contact” dip-coating method is developed to prepare sol–gel SiO{sub 2} AR coatings on small-size LBO crystals. Using this approach, we obtain a homogenous coating surface on an 8 mm×8 mm×3 mm LBO crystal. The stress measurements show that the stresses in sol–gel SiO{sub 2} coatings vary with the time of natural drying, which is beyond our expectation. The anisotropic Young’s modulus of the LBO crystal and the different evolution tendency of the stress in the different SiO{sub 2} coating layers are found to be responsible for the crack of the double-layer AR coatings on anisotropic LBO crystal. Meanwhile, the resulting coatings on LBO crystal achieve a LIDT of over 15 J/cm{sup 2} (532 nm, 3ns) and the coated LBO is expected to have a transmittance of over 99% at 800 nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

In situ high pressure investigations on metastable BiBO{sub 3}

Synchrotron based angle dispersive x-ray diffraction (ADXRD) studies were performed on metastable crystalline bismuth orthoborate (BiBO{sub 3}) up to 14.5 GPa during compression and decompression cycle. These studies revealed that the BiBO{sub 3} is unstable and it converts to Bi{sub 4}B{sub 2}O{sub 9} phase at high pressure. Moreover the transformation is found to be irreversible.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗