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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Interaction of optical and interface phonons and their anisotropy in GaAs/AlAs superlattices: Experiment and calculations

The angular anisotropy of interface phonons and their interaction with optical phonons in (001) GaAs/AlAs superlattices are calculated and experimentally studied. Experiments were performed by Raman light scattering in different scattering geometries for phonons with the wave vector directed normally to the superlattice and along its layers. Phonon frequencies were calculated by the extended Born method taking the Coulomb interaction into account in the rigid-ion approximation. Raman scattering spectra were calculated in the Volkenshtein bond-polarizability approximation. Calculations confirmed that the angular anisotropy of phonons observed in experiments appears due to interaction (mixing) of optical phonons, in which atoms are mainly displaced normally to superlattices, with interface phonons (TO-IF modes). In the scattering geometry, when the wave vector lies in the plane of superlattice layers, the mixed TO-IF modes are observed under nonresonance conditions. The Raman spectra for TO-IF modes depend on the mixing of atoms at heteroboundaries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

High-frequency solitons in media with induced scattering from damped low-frequency waves with nonuniform dispersion and nonlinearity

The dynamics of high-frequency field solitons is considered using the extended nonhomogeneous nonlinear Schrödinger equation with induced scattering from damped low-frequency waves (pseudoinduced scattering). This scattering is a 3D analog of the stimulated Raman scattering from temporal spatially homogeneous damped low-frequency modes, which is well known in optics. Spatial inhomogeneities of secondorder linear dispersion and cubic nonlinearity are also taken into account. It is shown that the shift in the 3D spectrum of soliton wavenumbers toward the short-wavelength region is due to nonlinearity increasing in coordinate and to decreasing dispersion. Analytic results are confirmed by numerical calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Raman Scattering in Lonsdaleite

We present the results of our study of a polycrystalline diamond–lonsdaleite powder from the Popigai crater (Siberia) using UV micro-Raman scattering and synchrotron X-ray diffraction. By subtracting two experimental Raman spectra of diamond–lonsdaleite samples with a close ratio of the diamond and lonsdaleite fractions, when the maximum contribution to the difference spectrum is related to the difference of the lonsdaleite contributions and not to the change in the diamond band width, we have managed to obtain the spectrum of “pure” lonsdaleite. Its deconvolution has allowed us to identify all three Raman-active vibrational modes E{sub 2g}, A{sub 1g}, and E{sub 1g} whose positions agree well with the results of ab initio calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Optical phonons in PbTe/CdTe multilayer heterostructures

The infrared reflection spectra of PbTe/CdTe multilayer nanostructures grown by molecular-beam epitaxy are measured in the frequency range of 20–5000 cm{sup −1} at room temperature. The thicknesses and high-frequency dielectric constants of the PbTe and CdTe layers and the frequencies of the transverse optical (TO) phonons in these structures are determined from dispersion analysis of the spectra. It is found that the samples under study are characterized by two TO phonon frequencies, equal to 28 and 47 cm{sup −1}. The first frequency is close to that of TO phonons in bulk PbTe, and the second is assigned to the optical mode in structurally distorted interface layers. The Raman-scattering spectra upon excitation with the radiation of an Ar{sup +} laser at 514.5 nm are measured at room and liquid-nitrogen temperatures. The weak line at 106 cm{sup −1} observed in these spectra is attributed to longitudinal optical phonons in the interface layers.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Ab initio calculations of phonon dispersion in CdGa{sub 2}Se{sub 4}

The density of phonon states and the phonon dispersion in the Brillouin zone are calculated by the density functional method of. The displacements of atoms in the elementary cell are constructed for vibrations of the A, B, and E symmetries. The calculated frequencies of optical phonons are consistent with the experimentally determined frequencies from the IR-absorption (infrared) and Raman-scattering spectra. In the xy plane, the intersection of low-frequency optical phonons with acoustic phonons is observed.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Modification of the surface of GaAs and observation of surface enhanced Raman scattering after the diffusion of indium

The results of studies of the surface of GaAs in the presence of indium and phosphorus surfactants are reported. It is shown that, as a result of their diffusion (annealing) at a temperature of 650–670°C, clusters enriched with indium are formed in the GaAs surface region. The clusters can be seen as bright spots in an image obtained by a scanning electron microscope with the use of an in-lens detector. At the same time, studies of the morphology of this surface with an atomic-force microscope show a decrease in the root-meansquare roughness of the surface after annealing (diffusion), which is indicative of the incorporation of In atoms into the GaAs crystal lattice. The clusters are responsible for changes in the Raman spectra. Specifically, an increase in the signal intensity due to surface-enhanced Raman scattering and a shift of the vibration frequency in the surface region are observed. It is found that cluster formation is defined by the crystallographic orientation of the surface and by the technological conditions of surface preparation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microstructure and Raman Scattering of Cu{sub 2}ZnSnSe{sub 4} Thin Films Deposited onto Flexible Metal Substrates

Cu{sub 2}ZnSnSe{sub 4} thin films are produced by selenizing electrochemically layer-by-layer deposited and preliminarily annealed Cu–Zn–Sn precursors. For flexible metal substrates, Mo and Ta foils are used. The morphology, elemental and phase compositions, and crystal structure of Cu{sub 2}ZnSnSe{sub 4} films are studied by scanning electron microscopy, X-ray spectral microanalysis, X-ray phase analysis, and Raman spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Features of Defect Formation in Nanostructured Silicon under Ion Irradiation

Nanostructured silicon is irradiated by Si{sup +} and He{sup +} ions with energies of 200 and 150 keV, respectively. Destruction of the structure of irradiated samples and the accumulation of defects at different irradiation fluences are investigated by Raman scattering. It is shown that single-crystal silicon films are amorphized under irradiation at 0.7 displacements per atom. However, at 0.5 displacements per atom, porous silicon does not completely amorphize and the Raman spectra contain a weak signal of the amorphous silicon phase along with a pronounced signal of the crystalline silicon phase. The size of nanocrystals in the structure of porous silicon at different irradiation fluences is estimated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Raman Scattering in AlN Crystals Grown by Sublimation on SiC and AlN Seeds

The Raman-scattering technique is used to analyze the structural quality of bulk AlN crystals grown by sublimation on SiC and AlN seeds. Growth on SiC seeds is conducted with retention of the SiC seed during growth (type 1) and with total evaporation of the SiC seed (type 2). Growth on AlN seeds is conducted in tungsten containers with no graphite parts (type 3). According to the analysis of Raman spectra, the highest quality is inherent in type-3 crystals that exhibit minimal full widths at half maximum of Raman lines. The experimentally observed specific features are defined by differences in the mechanism of growth and by the content of dopant impurities in the crystals grown.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Raman Scattering by Crystals of Rare-Earth Hexaborides with Different Isotopes of Boron

Monocrystals of lanthanum hexaboride LaB{sub 6} containing both natural boron and its isotopes {sup 10}B and {sup 11}B have been produced using the solution-melt method. Polyelement hexaboride rare-earths have been grown and the corresponding ceramics have been synthesized for the first time. All these crystals have been studied by means of various techniques, generally using Raman scattering. The Raman spectra attributed to various spectral lines corresponding to nonanalyzable representations have been obtained and interpreted. Frequencies and half-widths of spectral lines have been obtained, the removal of degeneracy and the development of respective splitting of degenerate oscillations induced by defects, mainly by boron isotope inclusions, have been identified. The influence of defects on the Raman spectra has been determined.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Energy Structure of an Individual Mn Acceptor in GaAs : Mn

The energy structure of the Mn acceptor, which is a complex of Mn{sup 2+} ion plus valence band hole, is investigated in the external magnetic field and under presence of an uniaxial stress has been studied. The spin-flip Raman spectra are studied under resonant excitation of exciton bound to the Mn acceptor. The gfactors of the ground F = 1 and the first excited F = 2 states are determined and selection rules for the optical transitions between the acceptor states are described. The value of the random field (stress or electric field) acting on manganese acceptor and the deformation potential for the exchange interaction constant of the Mn{sup 2+} + hole complex are obtained. A theoretical model is developed that takes into account the influence of random internal and uniaxial external stress and magnetic field. The proposed model describes well the lines of spin-flip Raman scattering of Mn acceptor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Ab initio Calculations of Phonon Dispersion in CdGa{sub 2}S{sub 4}

Abstract—The phonon spectrum of CdGa{sub 2}S{sub 4} has been experimentally investigated by Raman spectroscopy and theoretically analyzed using the density functional theory (DFT). Eleven active Raman modes (at 83, 135, 165, 219, 243, 260, 310, 322, 352, 361, and 392 cm{sup –1}) have been detected and identified. The identification of all vibrational modes is based on consideration of the point symmetry group. The results are compared with the existing experimental IR spectroscopy and Raman scattering data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Spatiotemporal imaging and manipulation of surface plasmons

Abstract Surface plasmon polaritons (SPPs) are travelling surface waves that have shown promise for applications in nanophotonics as they provide a direct route toward photon-mediated electrical signal generation – a central paradigm for speeding up and scaling down photonic elements. SPP waves have also generated fundamental interest due to their high-field strength and sub-wavelength confinement, properties that have enabled the surface-enhanced Raman effect. Over the last decade, photoemission electron microscopy (PEEM) has emerged as a pioneering technique for imaging surface electric fields through ultrashort laser pulse mediated electron emission and has therefore become an indispensable tool for characterizing plasmonic phenomena at interfaces in a variety of materials. PEEM offers nanometer spatial resolution and femtosecond temporal resolution, allowing SPPs to be prepared, monitored, and manipulated on the nanometer-femtosecond scale. Through a brief review of recent reports, we aim to introduce PEEM-based SPP imaging and manipulation modalities and highlight their utility in the context of emerging nanoscale and quantum materials science advancements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

A PROFILE ANALYSIS OF RAMAN-SCATTERED O VI BANDS AT 6825 Å AND 7082 Å IN SANDULEAK’S STAR

We present a detailed modeling of the two broad bands observed at 6825 and 7082 Å in Sanduleak’s star, a controversial object in the Large Magellanic Cloud. These bands are known to originate from Raman scattering of O vi λ λ 1032 and 1038 photons with atomic hydrogen and are only observed in bona fide symbiotic stars. Our high-resolution spectrum obtained with the Magellan Inamori Kyocera Echelle spectrograph at the Magellan-Clay Telescope reveals, quite surprisingly, that the profiles of the two bands look very different: while the Raman 6825 Å band shows a single broad profile with a redward extended bump, the Raman 7082 Å band exhibits a distinct triple-peak profile. Our model suggests that the O vi emission nebula can be decomposed into a red, blue, and central emission region from an accretion disk, a bipolar outflow, and a further compact, optically thick region. We also perform Monte Carlo simulations with the aim of fitting the observed flux ratio F (6825)/ F (7082) ∼ 4.5, which indicates that the neutral region in Sanduleak’s star is characterized by the column density N{sub Hi} ∼ 1 × 10{sup 23} cm{sup −2}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Raman parametric excitation effect upon the third harmonic generation by a metallic nanoparticle lattice

This work is a theoretical study on third harmonic generation in the nonlinear propagation of an intense laser pulse through a periodic three-dimensional lattice of nanoparticles. Using a perturbative method, the nonlinear equations that describe the laser–nanoparticle interaction in the weakly relativistic regime are derived. Additionally, the nonlinear dispersion relation and the amplitude of the third harmonic are obtained. Finally, the effects of the nanoparticle radius and separation length, the distribution of the nanoparticle electron density, and the laser frequency upon the third harmonic efficiency are investigated. In addition to the expected resonance that occurs when the third harmonic resonates with the plasmon wave, another resonance appears when the nonlinear interaction of the fundamental mode with the third harmonic excites a longitudinal collective plasmon wave via the parametric Raman mechanism.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Thermal effects on the Raman phonon of few-layer phosphorene

Two-dimensional phosphorene is a promising channel material for next generation transistor applications due to its superior carrier transport property. Here, we report the influence of thermal effects on the Raman phonon of few-layer phosphorene formed on hafnium-dioxide (HfO{sub 2}) high-k dielectric. When annealed at elevated temperatures (up to 200 °C), the phosphorene film was found to exhibit a blue shift in both the out-of-plane (A{sup 1}{sub g}) and in-plane (B{sub 2g} and A{sup 2}{sub g}) phonon modes as a result of compressive strain effect. This is attributed to the out-diffusion of hafnium (Hf) atoms from the underlying HfO{sub 2} dielectric, which compresses the phosphorene in both the zigzag and armchair directions. With a further increase in thermal energy beyond 250 °C, strain relaxation within phosphorene eventually took place. When this happens, the phosphorene was unable to retain its intrinsic crystallinity prior to annealing, as evident from the broadening of full-width at half maximum of the Raman phonon. These results provide an important insight into the impact of thermal effects on the structural integrity of phosphorene when integrated with high-k gate dielectric.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Finite temperature effects on the X-ray absorption spectra of lithium compounds: First-principles interpretation of X-ray Raman measurements

We elucidate the role of room-temperature-induced instantaneous structural distortions in the Li K-edge X-ray absorption spectra (XAS) of crystalline LiF, Li{sub 2}SO{sub 4}, Li{sub 2}O, Li{sub 3}N, and Li{sub 2}CO{sub 3} using high resolution X-ray Raman spectroscopy (XRS) measurements and first-principles density functional theory calculations within the eXcited electron and Core Hole approach. Based on thermodynamic sampling via ab initio molecular dynamics simulations, we find calculated XAS in much better agreement with experiment than those computed using the rigid crystal structure alone. We show that local instantaneous distortion of the atomic lattice perturbs the symmetry of the Li 1s core-excited-state electronic structure, broadening spectral line-shapes and, in some cases, producing additional spectral features. The excellent agreement with high-resolution XRS measurements validates the accuracy of our first-principles approach to simulating XAS, and provides both accurate benchmarks for model compounds and a predictive theoretical capability for identification and characterization of multi-component systems, such as lithium-ion batteries, under working conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗