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Results for “RAMAN EFFECT”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

First-principles study of the magneto-Raman effect in van der Waals layered magnets

Magneto-Raman spectroscopy has been used to study spin-phonon coupling in two-dimensional (2D) magnets. Raman spectra of CrI 3 show a strong dependence on the magnetic order within a layer and between the layers. Here we carry out the first systematic theoretical investigation of the magneto-Raman effect in 2D magnets by performing density functional theory calculations and developing a generalized polarizability model. Our first-principles simulations well reproduce experimental Raman spectra of CrI 3 with different magnetic states. The model reveals how the change of spin orientation in each layer is coupled to the layer’s vibration to induce or eliminate the spin-dependent anti-symmetric off-diagonal terms in the Raman tensor for altering the selection rules. We also uncover that the correlation between phonon modes and magnetic orders is a universal phenomenon, which should exist in other phonon modes and 2D magnets. Our predictive simulations and modeling are expected to guide the research in 2D magnets.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Giant magneto-optical Raman effect in a layered transition metal compound

Significance Raman scattering is a powerful technique to probe optical phonons in solids. It usually involves an electron-mediated three-step process, involving photon–electron, electron–phonon, and electron–photon interactions. In principle, manipulating electrons, for instance by applying a magnetic field, should affect Raman phonon intensity, yet there is no direct experimental measurement to demonstrate this. In this work we report the first realization to our knowledge of the idea in a prototype material, MoS 2 . From monolayer and bilayer to bulk MoS 2 we observe a dramatic modification of Raman phonon intensity induced by magnetic field. Such a giant magneto-optical effect appearing at a monoatomic layer level and its technological implications for magnetic-optical devices should inspire a new branch of inelastic light scattering.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Raman effect, structural and dielectric properties of sol-gel synthesized polycrystalline GaFe{sub 1-x}Zr{sub x}O{sub 3} (0≤x≤0.15)

Polycrystalline ceramic samples of Zirconium (Zr)-doped GaFeO{sub 3} (GaFe{sub 1-x}Zr{sub x}O{sub 3}) were studied using powder X-ray diffraction, complex impedance spectroscopy and Raman spectroscopic measurements to understand the effect of Zr doping on the structural and dielectric properties. The samples with varying Zr content were prepared by Sol-Gel method. X-ray data analysis confirmed the formation of single phase material without formation of any secondary phases and all are crystallized in Pc2{sub 1}n orthorhombic symmetry. Rietveld refinement of the X-ray data suggested an increase in the lattice constants due to size effect and decreases on x = 0.15 due to the effect of change in interplanner spacing. Impedance studies on the samples showed that the dielectric constant increases while loss tangent decrease as the Zr content increases. Raman scattering on GaFe{sub 1-x}Zr{sub x}O{sub 3} (x = 0, 0.05, 0.10, & 0.15) used to understand the composition dependence on phonon modes at room temperature. On Zr doping, Raman modes frequencies shifts to lower energies consistent with the X-ray data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Raman thermometry: Effective temperature of the nonuniform temperature field induced by a Gaussian laser

Raman spectroscopy is a widely applied analytical technique with numerous applications that is based on inelastic scattering of monochromatic light, which is typically provided by a laser. Irradiation of a sample by a laser beam is always accompanied by an increase in the sample temperature, which may be unwanted or may be beneficial for studying temperature-related effects and determining thermal parameters. This work reports analyses of the temperature field induced by a Gaussian laser to calculate the Raman scattered intensity related to each temperature value of the nonuniform field present on the sample. The effective temperature of the probed field, calculated as an average weighted by the laser intensity, is demonstrated to be about 70% of the maximum temperature irrespective of the absorption coefficient or the laser focus. Finally, using crystalline silicon as a model material, it is shown that this effective value closely approximates the temperature value identified from the thermally related peak shift.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Size effects in near-ultraviolet Raman spectra of few-nanometer-thick silicon-on-insulator nanofilms

We have fabricated Si-on-insulator (SOI) layers with a thickness h{sub 1} of a few nanometers and examined them by Raman spectroscopy with 363.8 nm excitation. We have found that phonon and electron confinement play important roles in SOI with h{sub 1} < 10 nm. We have confirmed that the first-order longitudinal optical phonon Raman band displays size-induced major homogeneous broadening due to phonon lifetime reduction as well as minor inhomogeneous broadening due to wave vector relaxation (WVR), both kinds of broadening being independent of temperature. Due to WVR, transverse acoustic (TA) phonons become Raman-active and give rise to a broad band in the range of 100–200 cm{sup −1}. Another broad band appeared at 200–400 cm{sup −1} in the spectrum of SOI is attributed to the superposition of 1st order Raman scattering on longitudinal acoustic phonons and 2nd order scattering on TA phonons. Suppression of resonance-assisted 2-nd order Raman bands in SOI spectra is explained by the electron-confinement-induced direct band gap enlargement compared to bulk Si, which is confirmed by SOI reflection spectra.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Near-octave lithium niobate soliton microcomb

Thin film lithium niobate (LN) is bringing renewed potential to the realm of integrated photonics. Its strong quadratic and cubic nonlinearities as well as wide transparency window are ideal for realizing on-chip self-referenced soliton microcombs. However, broadband Kerr cavity soliton generation in LN thin films remains challenging due to limited dispersion control and competition from strong stimulated Raman scattering (SRS). Here, we demonstrate the generation of soliton microcombs in LN thin films featuring broad spectral spans up to 4/5 octaves with the emission of dual dispersion waves (2/3 octaves apart) and sub-terahertz repetition rates (down to 335 GHz) by suppressing strong SRS. Numerical simulations based on coupled-mode equations that incorporate Raman effects further elucidate the soliton dynamics in this highly Raman-active material system.

Gong, Zheng (ORCID:0000000301704870)↗
DOE OSTI2018

Iterative Method to Obtain Raman Spectra of Organic Dyes by Their Chaotic Generation in Multiple-Scattering Media

An iterative method is developed to obtain vibrational spectra of laser organic dyes from their secondary radiation spectra in multiple-scattering media, which manifests as a result of coupled process of chaotic generation (CG) and stimulated Raman scattering (SRS). The developed method increases significantly the capability to detect weak Raman lines by using batch processing of a set of experimental SRS-CG spectra, which makes it possible to optimize the deconvolution of these spectra and to average vibrational spectra obtained from the set of experimental SRS-CG spectra. The method is tested on spectra of the SRS-CG laser dye pyrromethene 597 in a vesicular film. The obtained results agree well with Raman spectra calculated by the Hartree–Fock method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Control of Charge Transfer in C60–ZnO Composite Under the Influence of UV Laser Radiation by the Methods of Raman Spectroscopy and Photoluminescence

Raman and photoluminescence spectra of nanostructured ZnO films with adsorbed C60 molecules were studied. The possibility of intensive C60–ZnO electronic coupling forming in this composite was investigated. It is shown that such an electron coupling can be significantly enhanced by irradiating the composite with high intensity UV laser radiation (λ = 325 nm).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Fluorescence and Raman Spectroscopy of Doped Nanodiamonds

Raman and fluorescence spectroscopic techniques were used to study doped nanodiamonds synthesized at high pressure and high temperature (HPHT technique) and by chemical vapor deposition from the gas phase (CVD technique). For the CVD diamonds, a hundred-fold increase in fluorescence intensity of the silicon-vacancy centers normalized to the volume of the probe material was observed with an increase in synthesized diamond particle diameter from 150 to 300 nm. Graphitization temperature upon heating in the air significantly lower than for detonation nanodiamonds was found for the boron-doped HPHT nanodiamonds.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Pressure-induced phase transitions in acentric BaHf(BO{sub 3}){sub 2}

High-pressure Raman scattering studies revealed that BaHf(BO{sub 3}){sub 2} is more compressible than calcite-type orthoborates and calcite, aragonite or dolomite carbonates. It undergoes a first-order reversible pressure-induced phase transition in the 3.9–4.4 GPa pressure range. Second structural change is observed at 9.2 GPa. The intermediate phase is most likely trigonal. However, Raman results suggest increase in the number of distinct BO{sub 3} groups from two in the ambient pressure phase to at least three in the intermediate phase. This intermediate phase is also strongly compressible and strong pressure dependence of the lattice modes proves that the main changes under pressure occur within the layers built from BaO{sub 6} and HfO{sub 6} octahedra. The second phase transition leads most likely to lowering of the trigonal symmetry, as evidenced by significant increase of the number of observed bands. The pressure coefficients of the Raman bands of the high-pressure phase are relatively small, suggesting more dense arrangement of the metal–oxygen polyhedra and BO{sub 3} groups in this phase. It is worth noting that the high-pressure phase was not reached in the second compression experiment up to 10 GPa. This behavior can be most likely attributed to worse hydrostatic conditions of the first experiment. - Graphical abstract: Raman spectra of BaHf(BO{sub 3}){sub 2} recorded at different pressures during compression showing onset of pressure-induced phase transitions. - Highlights: • High-pressure Raman spectra were measured for BaHf(BO{sub 3}){sub 2.} • BaHf(BO{sub 3}){sub 2} undergoes a reversible first-order phase transition at 3.9–4.4 GPa into a trigonal phase. • The intermediate trigonal phase is strongly compressible second structural transformation is observed at 9.2 GPa under non-perfect hydrostatic conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Raman spectroscopy, dielectric properties and phase transitions of Ag{sub 0.96}Li{sub 0.04}NbO{sub 3} ceramics

Highlights: • First Raman scattering studies of Ag{sub 0.96}Li{sub 0.04}NbO{sub 3}, allowed us to correlate temperature evolution of relaxational frequency γ{sub R}(T) with the Nb-ion dynamics and showed its changes at freezing temperature and ferrielectric transition. - Abstract: Silver lithium niobates Ag{sub 1−x}Li{sub x}NbO{sub 3} are promising lead free piezoelectrics. Good quality Ag{sub 0.96}Li{sub 0.04}NbO{sub 3} ceramics were obtained. Dielectric and DSC studies showed that, in comparison to AgNbO{sub 3,} temperatures of phase transitions slightly decrease. Dielectric studies pointed to enhancement of polar properties. Remnant polarisations achieves value of 0.6 μC/cm{sup 2}. Maximum of ϵ(T) dependences related to the relaxor-like ferroelectric/ferrielectric M{sub 1}–M{sub 2} transition becomes higher and more frequency dependent. Analysis of Raman spectra showed that two modes at 50 and 194 cm{sup −1} exhibit significant softening. Low frequency part of the Raman spectra which involve central peak and soft mode were analysed using two models. CP was assumed as relaxational vibration and described by Debye function. The slope of temperature dependences of relaxational frequency γ{sub R}(T) changes at approximately 470 and 330 K, indicating that slowing down process of relaxational vibrations changes in the vicinity of partial freezing of Nb-ion dynamics T{sub f} and further freezing at ferroelectric/ferrielectric phase transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Raman scattering investigation of large positive magnetoresistance material WTe{sub 2}

We have performed polarized Raman scattering measurements on WTe{sub 2}, for which an extremely large positive magnetoresistance has been reported recently. We observe 5 A{sub 1} phonon modes and 2 A{sub 2} phonon modes out of 33 Raman active modes, with frequencies in good accordance with first-principles calculations. The angular dependence of the intensity of the peaks observed is consistent with the Raman tensors of the C{sub 2v} point group symmetry attributed to WTe{sub 2}. Although the phonon spectra suggest neither strong electron-phonon nor spin-phonon coupling, the intensity of the A{sub 1} phonon mode at 160.6 cm{sup −1} shows an unconventional decrease with temperature decreasing, for which the origin remains unclear.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Global and local structural variations near the antiferroelectric regime in Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}

Rietveld refinement of neutron and x-ray diffraction data of Na{sub 0.5}Bi{sub 0.5}TiO{sub 3} shows R3c phase stabilization at room temperature. The intermediate antiferroelectric region between 180°C to 280°C exhibits phase coexistence i.e R3c + Pnma, along with decrease in octahedral tilt angle and increase in unit cell volume. The local structural changes observed from Raman scattering in the A-O, Ti-O and TiO{sub 6} phonon modes favor the global structural variation. A possible antiparallel cation displacement due to Pnma phase formation leads to the origin of antiferroelectric ordering in Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Collision-induced Raman scattering by rare-gas atoms: The isotropic spectrum of Ne–Ne and its mean polarizability

We report the room-temperature isotropic collision-induced light scattering spectrum of Ne–Ne over a wide interval of Raman shifts, and we compare it with the only available experimental spectrum for that system as well as with spectra calculated quantum-mechanically with the employ of advanced ab initio-computed data for the incremental mean polarizability. The spectral range previously limited to 170 cm{sup −1} is now extended to 485 cm{sup −1} allowing us to successfully solve the inverse-scattering problem toward an analytic model for the mean polarizability that perfectly matches our measurements. We also report the depolarization ratio of the scattering process, lingering over the usefulness of this property for more stringent checks between the various polarizability models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

The disorder-induced Raman scattering in Au/MoS{sub 2} heterostructures

The Raman scattering has been studied in heterostructures composed of a thin MoS{sub 2} flake and a 1-1.5 nm layer of thermally evaporated gold (Au). There have been Au nanoislands detected in the heterostructure. It has been found that their surface density and the average size depend on the MoS{sub 2} thickness. The Raman scattering spectrum in the heterostructure with a few monolayer MoS{sub 2} only weakly depends on the excitation (resonant vs. non-resonant) mode. The overall Raman spectrum corresponds to the total density of phonon states, which is characteristic for disordered systems. The disorder in the MoS{sub 2} layer is related to the mechanical strain induced in the MoS{sub 2} layer by the Au nanoislands. The strain results in the localization of phonon modes, which leads to the relaxation of the momentum conservation rule in the scattering process. The relaxation allows phonons from the whole MoS{sub 2} Brillouin zone to interact with electronic excitations. Our results show that the Au nanoislands resulted from thermal evaporation of a thin metal layer introduce substantial disorder into the crystalline structure of the thin MoS{sub 2} layers.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Selective deposition of a crystalline Si film by a chemical sputtering process in a high pressure hydrogen plasma

The selective deposition of Si films was demonstrated using a chemical sputtering process induced by a high pressure hydrogen plasma at 52.6 kPa (400 Torr). In this chemical sputtering process, the initial deposition rate (R{sub d}) is dependent upon the substrate type. At the initial stage of Si film formation, R{sub d} on glass substrates increased with elapsed time and reached to a constant value. In contrast, R{sub d} on Si substrates remained constant during the deposition. The selective deposition of Si films can be achieved by adjusting the substrate temperature (T{sub sub}) and hydrogen concentration (C{sub H2}) in the process atmosphere. For any given deposition time, it was found that an optimum C{sub H2} exists for a given T{sub sub} to realize the selective deposition of a Si film, and the optimum T{sub sub} value tends to increase with decreasing C{sub H2}. According to electron diffraction patterns obtained from the samples, the selectively prepared Si films showed epitaxial-like growth, although the Si films contained many defects. It was revealed by Raman scattering spectroscopy that some of the defects in the Si films were platelet defects induced by excess hydrogen incorporated during Si film formation. Raman spectrum also suggested that Si related radicals (SiH{sub 2}, SiH, Si) with high reactivity contribute to the Si film formation. Simple model was derived as the guideline for achieving the selective growth.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗