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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Synthesis and magnetic properties of the Shastry-Sutherland family R 2 Be 2 SiO 7 ( R = Nd , Sm , Gd-Yb )

Compounds forming the quasi-two-dimensional Shastry-Sutherland lattice (SSL) have attracted significant experimental and theoretical attention in the field of frustrated magnetism. This is primarily due to their realization of an exactly soluble J 1 –J 2 orthogonal dimer model capable of hosting magnetic order, dimer singlet, and plaquette singlet phases in zero applied field and their complex magnetic phase diagrams with fractional magnetization plateaus and possible superfluid and supersolid phases found between the plateau states. The discovery and characterization of SSL compounds based on rare-earth magnetic ions provide a direct route to study the stability and properties of these exotic magnetic phases in systems with a variety of different magnetic anisotropies. In this paper, we discuss the synthesis and magnetic characterization of polycrystalline samples of the R 2 ⁢Be 2 ⁢SiO 7 family, where R=Nd, Sm, and Gd-Yb. All family members crystallize in the space group $P\bar{⁢4}⁢2_1⁢m$ (113) and show no signs of long-range magnetic order above 2 K, except for R=Tb which orders antiferromagnetically at 2.6 K.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Radiation effects on the structure and alteration behavior of an SiO 2 –Al 2 O 3 –B 2 O 3 –Na 2 O glass

As borosilicate glasses are used in many countries to immobilize fission products and minor actinides after spent fuel reprocessing before storage in a deep geological repository, assessing that their chemical durability is of paramount importance. Here, pristine and preirradiated (952 MeV, 136Xe) SiO 2 –B2O 3 –Al2O 3 –Na 2 O glasses with the same molar ratios as in the French SON68 and ISG glasses have been subjected to aqueous corrosion in deionized water and in silica-saturated solution to measure the initial and longer term alteration rates. Pristine and preirradiated glasses corrode following the same mechanisms, but the preirradiation has a strong impact on the initial dissolution rate (increase by a factor of 5.6), and on the alteration layer depth in silica-saturated conditions (by two- to threefolds). The later result is related to the formation of a more porous, less passivating gel on the preirradiated glass specimen. Using both experimental spectroscopies (NMR, IR, and SFG) and classical molecular dynamics, the radiation effects on the glass structure and water diffusion have been assessed. After preirradiation, the density and the polymerization degree of the glass decrease, whereas the topological disorder increases. In consequence, water diffusion accelerates. These observations allow to correlate the radiation impact on the alteration behavior to the structural changes.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Raman spectroscopic characterization of SiO 2 phase transformation and Si substrate stress relevant to EBC performance

To accurately model the long-term durability of environmental barrier coatings (EBCs), a more complete understanding of the phase composition and transformations of the thermally grown oxide SiO 2 (TGO) is desired. For the TGO formed during thermal cycling in steam, cristobalite formation and the subsequent β- to α-cristobalite transformation has been identified as a potentially life-limiting mechanism. In this study, Raman micro-spectroscopy was used to quantify the cristobalite transformation on a polycrystalline Si coupon that was exposed to steam at 1350°C for 100 h. The phase transformation was mapped at 200–260°C on the TGO surface at different ramp rates using a heating stage and a micro-positioning stage. The stress in the Si substrate was also determined using Raman spectroscopy by measuring the stress induced peak shift. The α→β phase transformation produced a 300–500 MPa tensile stress in the Si substrate, which compared well to the stress predicted from the volumetric expansion of the cristobalite. In conclusion, quantifying the phase transformation and residual stress are critical tools in developing the next generation of high performance EBCs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Voltage waveform tailoring for high aspect ratio plasma etching of SiO 2 using Ar/CF 4 /O 2 mixtures: Consequences of ion and electron distributions on etch profiles

The quality of high aspect ratio (HAR) features etched into dielectrics for microelectronics fabrication using halogen containing low temperature plasmas strongly depends on the energy and angular distribution of the incident ions (IEAD) onto the wafer, as well as potentially that of the electrons (EEAD). Positive ions, accelerated to high energies by the sheath electric field, have narrow angular spreads and can penetrate deeply into HAR features. Electrons typically arrive at the wafer with nearly thermal energy and isotropic angular distributions and so do not directly penetrate deeply into features. These differences can lead to positive charging of the insides of the features that can slow etching rates and produce geometric defects such as twisting. In this work, we computationally investigated the plasma etching of HAR features into SiO 2 using tailored voltage waveforms in a geometrically asymmetric capacitively coupled plasma sustained in an Ar/CF 4 /O 2 mixture at 40 mTorr. The tailored waveform consisted of a sinusoidal wave and its higher harmonics with a fundamental frequency of 1 MHz. We found that some degree of control of the IEADs and EEADs is possible by adjusting the phase of higher harmonics φ through the resulting generation of electrical asymmetry and electric field reversal. However, the IEADs and EEADs cannot easily be separately controlled. The control of IEADs and EEADs is inherently linked. The highest quality feature was obtained with a phase angle φ = 0° as this value generated the largest (most negative) DC self-bias and largest electric field reversal for accelerating electrons into the feature. That said, the consequences of voltage waveform tailoring (VWT) on etched features are dominated by the change in the IEADs. Although VWT does produce EEADs with higher energy and narrower angular spread, the effect of these electrons on the feature compared to thermal electrons is not large. Finally, this smaller impact of VWT produced EEADs is attributed to thermal electrons being accelerated into the feature by electric fields produced by the positive in-feature charging.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Autonomous hybrid optimization of a SiO 2 plasma etching mechanism

Computational modeling of plasma etching processes at the feature scale relevant to the fabrication of nanometer semiconductor devices is critically dependent on the reaction mechanism representing the physical processes occurring between plasma produced reactant fluxes and the surface, reaction probabilities, yields, rate coefficients, and threshold energies that characterize these processes. The increasing complexity of the structures being fabricated, new materials, and novel gas mixtures increase the complexity of the reaction mechanism used in feature scale models and increase the difficulty in developing the fundamental data required for the mechanism. This challenge is further exacerbated by the fact that acquiring these fundamental data through more complex computational models or experiments is often limited by cost, technical complexity, or inadequate models. In this paper, we discuss a method to automate the selection of fundamental data in a reduced reaction mechanism for feature scale plasma etching of SiO 2 using a fluorocarbon gas mixture by matching predictions of etch profiles to experimental data using a gradient descent (GD)/Nelder–Mead (NM) method hybrid optimization scheme. These methods produce a reaction mechanism that replicates the experimental training data as well as experimental data using related but different etch processes.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Photonic integration of Er 3+ :Y 2 SiO 5 with thin-film lithium niobate by flip chip bonding

Rare earth ions are known as promising candidates for building quantum light-matter interface. However, tunable photonic cavity access to rare earth ions in their desired host crystal remains challenging. Here, we demonstrate the integration of erbium doped yttrium orthosilicate (Er 3+ :Y 2 SiO 5 ) with thin-film lithium niobate photonic circuit by plasma-activated direct flip chip bonding. Resonant coupling to erbium ions is realized by on-chip electro-optically tuned high Q lithium niobate micro-ring resonators. Fluorescence and absorption of erbium ions at 1536.48 nm are measured in the waveguides, while the collective ion-cavity cooperativity with micro-ring resonators is assessed to be 0.36. This work presents a versatile scheme for future rare earth ion integrated quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Near surface structure of ultrathin epitaxial Ru films on graphene/amorphous SiO 2 revealed by azimuthal RHEED

Ru has been considered as an alternative metallic candidate for future local interconnects. The 2D reciprocal space map constructed from the azimuthal reflection high-energy electron diffraction patterns reveals that ultrathin Ru(0001) is epitaxially grown on transferred graphene on amorphous SiO 2 through quasi-van der Waals interaction. The in-plane and out-of-plane lattice constants are measured from streaks’ separation and intensity modulations along streaks, respectively. Weak and broad rings indicate that a low density of nanoscale polycrystals exist on the surface. In this work, The intensities of 00 and non-00 diffraction spots vs. azimuthal angles in the 2D map show a few degrees out-of-plane and in-plane angular misorientations among grains, respectively. As the film thickness decreases these angular misorientations increase. Transmission electron microscopy carried out in this study also provides precise values of lattice constant and sub-grain sizes in the films. These findings show that ultrathin Ru film is epitaxial but not exactly single crystalline.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Spectral Radiative Properties of Polydispersed SiO 2 Particle Beds

The focus of this work is on the measurement and analysis of the radiative properties of polycrystalline SiO 2 particle beds with various layer thicknesses. The particles are polydispersed with average diameters of 222, 150, and 40 μm . The spectral, directional–hemispherical reflectance and transmittance of the particle bed are measured at wavelengths from 0.4 to 1.8 μm using a monochromator, and the reflectance measurement is extended to 15 μm using a Fourier-transform infrared spectrometer. Particles are closely packed between two transparent windows for measuring the radiative properties. In the visible and near-infrared region up to 1.8 μm, the inverse adding–doubling method yields the effective absorption and scattering coefficients. The results suggest that short wavelength absorption needs to be included in modeling the behavior of particle beds due to multiple scattering. A discrete-scale Monte Carlo ray-tracing method is developed to model the radiative properties by assuming monodispersed spherical particles, and the simulated results compare well with measurements. The effective absorption and scattering coefficients of the particle beds obtained from the independent scattering theory are compared to those from the inverse method. As a result, the impact of dependent scattering on the packed beds is observed for smaller-sized particles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1973

Radiative lifetimes and band oscillator strengths for metal oxides. II - SiO E 1 Sigma /+/-X 1 Sigma /+/

Use of an electron-beam phase-shift apparatus to obtain the radiative lifetimes for vibrational levels of the SiO E 1 Sigma (+) state. It is found that the radiative lifetimes for the vibrational transitions of the E-X band are independent of the vibrational upper state. The measured phase shifts yield cascade free lifetimes of 10.5 plus or minus 1.1 nsec for v' from 1 to 7. Spectroscopic data from Elander and Lagerqvist (1971) were used to calculate potential curves by the Klein-Dunham procedure, and Franck-Condon factors and r-centroids for the transition were computed.

Elander, N.↗
NASA NTRS1974

Infrared pumping processes for SiO masers

The J = 2 to 1 transition of the first excited vibrational state (v = 1) Si(28)O(16) has recently been shown to produce maser amplification near 86,245 MHz in Orion A and in several stars. Two possible pumping mechanisms are proposed for such masers. One involves the near coincidence between the frequencies of the 1-0 (RO) and 3-2 (R18) transitions in Si(28)O(16). The other requires emission by SiO and reabsorption without the necessity for an accidental frequency coincidence. Each of these types of mechanisms may occur for other transitions of molecules in a medium illuminated by intense infrared radiation, or with strong temperature gradients.

Geballe, T. R.↗
NASA NTRS1978

A shock-tube determination of the SiO /A 1 Pi - X 1 Sigma +/ transition moment

The sum of the squares of the electronic transition moments for the A 1 Pi - X 1 Sigma + band system of SiO has been determined from absorption measurements conducted in the reflected-shock region of a shock tube. The test gas was produced by shock-heating a mixture of N2O, SiCl4, and Ar, and the spectra were recorded photographically in the 260-290-nm wavelength range. The values of the sum as a function of internuclear distance between 2.8 and 3.3 Bohr were determined by comparing the measured absorption spectrum with that produced by a line-by-line synthetic-spectrum calculation which accounted for instrumental broadening. The value of the sum so deduced at an internuclear distance of 3.0 Bohr was 1.0 + or - 0.3 atomic units.

Park, C.↗
NASA NTRS1980

A spectroscopic study of intermediates in the condensation of refractory smokes: Matrix isolation experiments SiO

The infrared and Raman spectra of N2 matrix isolated silicon oxides are investigated. The vibrational frequencies of SiO, Si2O2, and Si3O3 were identified and assigned on the basis of normal coordinate analyses. Heating the solid to 50 K (evaporating the matrix) leaves a residue whose infrared spectrum is identical to that of a smoke condensed at ambient temperatures. Further heating of the sample to 500 K leads to significant changes in the band shapes. Investigations of the infrared spectra at several stages of the diffusion process result in the proposal of a mechanism for the transition from molecular properties to those of the residue (bulk) material, which is characterized as Si2O3.

Khanna, R. K.↗
NASA NTRS1981

A spectroscopic study of intermediates in the condensation of refractory smokes - Matrix isolation experiments of SiO

The infrared and Raman spectra of N2 matrix-isolated silicon oxides were investigated. The vibrational frequencies of SiO, Si2O2, and Si3O3 were identified and assigned on the basis of normal coordinate analyses. Heating the solid to approximately 50 K (evaporating the matrix) leaves a residue whose infrared spectrum is identical to that of a smoke condensed at ambient temperatures. Further heating of the sample to approximately 500 K leads to significant changes in the band shapes. Investigations of the infrared spectra at several stages of the diffusion process enable a mechanism to be proposed for the transition from molecular properties to those of the residue (bulk) material, which has been characterized as Si2O3.

Khanna, R. K.↗
NASA NTRS1981

Vibration-rotation intensities of SiO

Dipole moment matrix elements have been computed for a large number of transitions of astrophysical interest for the more abundant isotopes of SiO. The wave functions utilized were obtained from a direct solution of the Schroedinger equation with an accurate RKR potential. The dipole moment function, in the form of a Pade approximant, was chosen to reproduce the experimental measurements near equilibrium, to have the proper united and separated atom limits, and to have the correct long-range asymptotic dependence on internuclear separation. Because of the large number of transitions involved, and to facilitate applications, the squares of the dipole moment matrix elements were fitted by a least-squares procedure to polynomials in v and J. In addition, Einstein A coefficients are given for observed maser transitions and for selected vibrational bands. These latter are compared with previous calculations, and it is concluded that for the higher Delta v transitions, the present results represent a significant improvement.

Tipping, R. H.↗
NASA NTRS1986

Sub-arc second 2 centimeter continuum and SiO spectral line observations of R Aquarii

VLA observations with a limiting spatial resolution of about 0.15 arcsec were attempted along with complementary observations of SiO emission using the three-element Hat Creek interferometer to determine an accurate position of the long-period variable (LPV) of the R Aquarii binary system. The observations indicate that the LPV wind is distorted by the photoionization of the hot campanion's accretion disk, that precession of the accretion disk may occur, and that the observed v = 1, J = 2-1 transition emanates from a circumbinary layer far removed from the position of the LPV itself.

Hollis, J. M.↗
NASA NTRS1988

SiO overcoating and polishing of CFRP telescope panels

Development of carbon fiber reinforces plastic (CFRP) panel overcoating and polishing is structured in two parts. The first part utilized a short series of experiments to determine the feasibility of overcoating and polishing CFRP panels, and the second part employes a systematic approach to optimize techniques learned. Questions which required answers in the initial investigation are summarized. Tests were performedin the Steward Observatory's 2.2 Meter Vacuum Coating Chamber and began with 3 cm square pieces of CFRP facesheet material. Next, a 10 cm square and one-inch-thick CFPR-Aluminum core panel was tested. Tests were then conducted on a 0.5-meter-square Dornier panel (QUAD 4) with CFRP facesheets on two-inch aluminum Flexcore. To complete the initial study, a previously characterized 0.5 m Dornier panel (QUAD 23) was coated and hand polished. The mirror's optical performance was not affected by the SiO coating.

Woida, Patrick↗
NASA NTRS1991

Tridymite and maghemite formation in an Fe-SiO smoke

Grains produced in porous Fe-SiO smoke are analyzed by means of electron microscopy to determine their crystallographical, morphological, and chemical properties. The nucleation of metal oxide condensates takes place as the vapor evolves in a condensation-flow apparatus, initially producing simple crystalline phases. Fe nucleation follows, and the subsequent heterogeneous nucleation of quenched mixed high-Fe silica grains exhibits associated Fe-depletion, eventually producing pure silica grains. The coalescence exhibited by the pure silica grains is compatible with the higher surface energy found in the pure silica phase. During coagulation the grains melt and anneal to a chemically pure mixture of alpha- and beta-tridymite, and the precipitation of amorphous silica material is observed. The settling of grains in evolving solar nebula is theorized to be related to the stickiness of this material, and maghemite is suggested to contribute to the Fe/Si fractionation in solar nebula.

Rietmeijer, F. J. M.↗