Search NASA⌕ Search

SEARCH · Search NASA

Results for “Optical Absorption”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Optical characterization of Mg-doped ZnO thin films deposited by RF magnetron sputtering technique

This paper reports the in-depth analysis on optical characteristics of magnesium (Mg) doped zinc oxide (ZnO) thin films grown on p-silicon (Si) substrates by RF magnetron sputtering technique. The variable angle ellipsometer is used for the optical characterization of as-deposited thin films. The optical reflectance, transmission spectra and thickness of as-deposited thin films are measured in the spectral range of 300-800 nm with the help of the spectroscopic ellipsometer. The effect of Mg-doping on optical parameters such as optical bandgap, absorption coefficient, absorbance, extinction coefficient, refractive Index and dielectric constant for as-deposited thin films are extracted to show its application in optoelectronic and photonic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Exploring the Light-induced Dynamics in Solvated Metallogrid Complexes with Femtosecond Pulses Across the Electromagnetic Spectrum

Oligonuclear complexes of d 4 -d 7 transition metal ion centers that undergo spin-switching have long been developed for their practical role in molecular electronics. Recently, they also have appeared as promising photochemical reactants demonstrating improved stability. However, the lack of knowledge about their photophysical properties in the solution phase compared to their mononuclear congeners is currently hampering their inclusion into advanced light-driven reactions. In the present study, the ultrafast photoinduced dynamics in a solvated [2x2] iron(II) metallogrid complex are characterized by combining transient optical, infrared absorption and X-ray emission spectroscopic measurements on the femtosecond timescale. The analysis is supported by DFT calculations. The photocycle can be described in terms of intra-site transitions, where the Fe II in the low-spin (LS) state are independently photoexcited. The Franck-Condon state decays via the formation of a vibrationally-hot high-spin (HS) state that displays coherent behavior within a few picoseconds and thermalizes within tens of picosecond to yield a metastable HS state living for several hundreds of nanoseconds. Additionally, systematic comparison with the closely related mononuclear complex [Fe(terpy) 2 ] 2+ reveals that nuclearity has a profound impact on the photoinduced dynamics. Finally, this work provides guidelines for expanding the integration of oligonuclear complexes into new photoconversion schemes that may be triggered by ultrafast spin-switching.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Local electric field measurement in GaN diodes by exciton Franz–Keldysh photocurrent spectroscopy

The eXciton Franz–Keldysh (XFK) effect is observed in GaN p–n junction diodes via the spectral variation of photocurrent responsivity data that redshift and broaden with increasing reverse bias. Photocurrent spectra are quantitatively fit over a broad photon energy range to an XFK model using only a single fit parameter that determines the line shape and the local bias (V l ), uniquely determining the local electric field maximum and depletion widths. As expected, the spectrally determined values of V l vary linearly with the applied bias (V) and reveal a large reduction in the local electric field due to electrostatic non-uniformity. The built-in bias (V bi ) is estimated by extrapolating V l at V=0, which, when compared with independent C-V measurements, indicates an overall ±0.31 V accuracy of V l . This demonstrates sub-bandgap photocurrent spectroscopy as a local probe of electric field in wide bandgap diodes that can be used to map out regions of device breakdown (hot spots) for improving electrostatic design of high-voltage devices.

42 ENGINEERING↗
DOE OSTI2020

Compositional dependence of linear and nonlinear optical response in crystalline hafnium zirconium oxide thin films

Composition dependence of second harmonic generation, refractive index, extinction coefficient, and optical bandgap in 20 nm thick crystalline Hf 1– x Zr x O 2 (0 ≤ x ≤ 1) thin films is reported here. The refractive index exhibits a general increase with increasing ZrO 2 content with all values within the range of 1.98–2.14 from 880 nm to 400 nm wavelengths. A composition dependence of the indirect optical bandgap is observed, decreasing from 5.81 eV for HfO 2 to 5.17 eV for Hf 0.4 Zr 0.6 O 2 . The bandgap increases for compositions with x > 0.6, reaching 5.31 eV for Hf 0.1 Zr 0.9 O 2 . Second harmonic signals are measured for 880 nm incident light. The magnitude of the second harmonic signal scales with the magnitude of the remanant polarization in the composition series. Film compositions that display near zero remanent polarizations exhibit minimal second harmonic generation while those with maximum remanent polarization also display the largest second harmonic signal. The results are discussed in the context of ferroelectric phase assemblage in the hafnium zirconium oxide films and demonstrate a path toward a silicon-compatible integrated nonlinear optical material.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The effect of laser entrance hole foil thickness on MagLIF-relevant laser preheat

The magnetized liner inertial fusion (MagLIF) scheme relies on coupling laser energy into an underdense fuel raising the fuel adiabat at the start of the implosion. To deposit energy into the fuel, the laser must first penetrate a laser entrance hole (LEH) foil which can be a significant energy sink and introduce mix. In this paper, we report on experiments investigating laser energy coupling into MagLIF-relevant gas cell targets with LEH foil thicknesses varying from 0.5 μm to 3 μm. Two-dimensional (2D) axisymmetric simulations match the experimental results well for 0.5 μm and 1 μm thick LEH foils but exhibit whole-beam self-focusing and excessive penetration of the laser into the gas for 2 μm and 3 μm thick LEH foils. Additionally, better agreement for the 2 μm-thick foil is found when using a different thermal conductivity model in 2D simulations, while only 3D Cartesian simulations come close to matching the 3 μm-thick foil experiments. The study suggests that simulations may over-predict the tendency for the laser to self-focus during MagLIF preheat when thicker LEH foils are used. This effect is pronounced with 2D simulations where the azimuthally symmetric density channel effectively self-focuses the rays that are forced to traverse the center of the plasma. The extra degree of freedom in 3D simulations significantly reduces this effect. The experiments and simulations also suggest that, in this study, the amount of energy coupled into the gas is highly correlated with the laser propagation length regardless of the LEH foil thickness.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Plasmon-induced excitation energy transfer in silver nanoparticle dimers: A real-time TDDFTB investigation

Here, using real-time quantum dynamics calculations, we perform theoretical investigations of light-induced interactions and electronic excitation transfer in a silver nanoparticle dimer. Real-time time-dependent density functional tight-binding (RT-TDDFTB) calculations provide details of the quantum dynamical processes at an electronic/atomistic level with attosecond resolution. The computational efficiency of RT-TDDFTB allows us to examine electronic dynamics up to picosecond time scales. With time scales varying over six orders of magnitude, we provide insight into interactions between the nanoparticle and laser and between nanoparticles. Our results show that the coupling between nanoparticle monomers is dependent on the separation distance between the nanoparticles in the dimer. As the interparticle distance is varied, the dipole–dipole interactions and electronic excitation transfer mechanisms are markedly different. At large distances (from 50 to 20 Å), the energy transfer from NP1 to NP2 becomes more efficient as the interparticle distance decreases. The total dipole moment of the Ag 14 nanoparticle dimer increases linearly at an interparticle distance of 20 Å and reaches its maximum after 1.2 ps. The electronic excitation transfer is also the most efficient at 20 Å. At short distances, back-transfer effects reduce the ability of the dimer and NP1 to accept energy from the incident electric field. We attribute the distance-dependent features of the nanoparticle dimer to the beating between the laser acting on NP1 and the back transfer from NP2 to NP1.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Investigation of long-term light stability of negative charge injected into oxide-nitride-oxide passivation stack of crystalline silicon solar cells

A negatively charged oxide-nitride-oxide stack for field-effect passivation of crystalline silicon solar cells is discussed. The negative charge was injected into the stack by a plasma charge injection technology. Charge stability was studied by exposing samples to AM1.5 simulation visible light and full-spectrum light at temperatures ranging from 55 to 78 °C for up to 300 h. Charge injection and loss were quantified based on shifts in the flatband voltage of capacitance–voltage curves measured with a mercury probe. The most probable mechanism of charge loss was found to be diffusion of negative charged hydrogen atoms through nitride and bottom oxide. The optimum recipe for each layer of the stack was investigated to minimize the loss of injected charge. The flatband voltage decay of the optimized stack was found to fit a power-law trend, suggesting the dispersive transport of hydrogen atoms with a dispersion parameter of ~0.06–0.07. The optimized stack is projected to maintain a negative charge density of about 3.6 × 10 12 cm –2 or more after 25 years of field operation in an environment such as Arizona, which would be sufficient for field-effect passivation under one-sun illumination. Furthermore, the high stability of the negative injected charge makes the plasma charging technology a safer and lower cost alternative to Al 2 O 3 -passivation technology commonly used to passivate p-type surfaces.

14 SOLAR ENERGY↗
DOE OSTI2024

Analytical model for laser-induced transient grating measurements of thermal diffusivity in non-opaque materials

The thermal transport and elastic properties of materials are often measured using the laser-induced transient grating spectroscopy (TGS) technique. The analysis of the TGS signal usually involves fitting well-known expressions, derived assuming the limiting cases of opaque or transparent materials, to the measured data. In this paper, the system of thermoelastic equations is analytically solved for an isotropic homogeneous material assuming finite laser penetration depth, which is an important consideration when the penetration depth is on the order of the acoustic wavelength. The need to use such a solution is discussed and compared to the expression for opaque material. The solution is benchmarked against TGS signal measured on single-crystal silicon with {100} surface orientation and is found to significantly improve the accuracy of the calculated thermal diffusivity as compared to using the expression for opaque material.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Discovery of complex oxides via automated experiments and data science

Significance Automation is accelerating the discovery of useful materials, yet testing even a small fraction of the billions of possible materials for a desired property is beyond the reach of workflows involving resource-intensive property measurements. Due to relationships among composition, structure, and properties, identifying a complex material with one interesting property makes it the proverbial needle in a haystack that merits testing for additional properties. We accelerate materials synthesis and optical characterization by employing physics-aware data science to identify materials for further investigation. With this approach, one does not need high-throughput methods for measuring every material property of interest since a single ultra-high–throughput workflow can guide material selection for other properties, which is a new paradigm for accelerated materials discovery.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Cubic phase stability, optical and magnetic properties of Cu-stabilized zirconia nanocrystals

By means of experimental and ab initio investigations, in this article we report on the cubic phase stability of Cu doped zirconia (ZrO 2 ) at room temperature, and further characterize its structural, optical and magnetic properties. Various compositions of Zr 1– x Cu x O 2 (0.01 ≤ x ≤ 0.25) nanocrystallites of average size ~16 nm were synthesized using co-precipitation technique. Thermal analysis and kinetics of crystallization revealed that the cubic phase at ambient temperature can be stabilized by using a critical calcination temperature of 500 °C for 8 h in air and a critical composition of $x_c$ = 0.10 ± 0.05. For $x < x_c$, some undigested monoclinic phase of ZrO 2 exists together with the cubic structure. However, for $x > x_c$, the monoclinic CuO emerges as a secondary phase with shrinkage of unit-cell volume with increasing the Cu content. At x = 0.05 and 500 °C calcination temperature, we observe a high degree of cubic crystallinity which breaks down into monoclinic phase with increasing calcination temperature beyond 550 °C. Electron magnetic resonance studies provide evidence for the substitution of Cu 2+ ( 2 D 5/9 ,3d 9 ) ions at Zr 4+ sites with g ∥ = 2.250, g ⊥ = 2.018 and average g a = (g ∥ + 2g ⊥ )/3 ~ 2.1. The temperature dependence of magnetic susceptibility measurements from 2 K to 300 K exhibits Curie–Weiss behaviour whose analysis using g a = 2.1 and spin S = 1/2 yields x = 0.028 and x = 0.068 for the nominal x = 0.05 and x = 0.20 samples, respectively. This magnetic analysis confirms the findings from x-ray diffraction that only a part of Cu is successfully doped into cubic phase of Cu-doped ZrO 2 . The optical bandgap decreases with increasing x, which is due to the emergence of Cu-d states at Fermi-level near the valence bands, thus making Cu-doped zirconia a hole doped (p-type) semiconductor.

electron spin resonance↗
DOE OSTI2017

Electronic structure effects in spatiotemporally resolved photoemission interferograms of copper surfaces

Attosecond photoelectron spectroscopy allows the observation of electronic processes on attosecond time scales (1as=10 -18 s), as has been demonstrated in proof-of-principle experiments that probe the electronic dynamics in isolated atoms with unprecedented accuracy. Its recent expansion to solid targets is starting to allow the distinction of ultrafast collective electronic processes in matter with added spatial resolution, probing the electronic band structure and dielectric response in nanoplasmonically enhanced light-induced processes of relevance for photocatalysis, optoelectronics, and light harvesting. Furthermore, based on a quantum-mechanical model for photoelectron emission by an attosecond pulse train from the d band of a Cu(111) surface into a delayed assisting laser pulse, we calculate two-pathway two-photon interferograms as functions of the photoelectron energy and pulse delay. Our results scrutinize the dependence of observable photoelectron interferograms on the electronic structure of and electron transport in the substrate and agree well with experimental spectra and semiclassical Monte Carlo simulations of Lucchini et al. [Phys. Rev. Lett. 115, 137401 (2015)].

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Optically and thermally driven huge lattice orbital and spin angular momenta from spinning fullerenes

Lattice vibration in solids may carry angular momentum. But unlike the intrinsic spin of electrons, the lattice vibration is rarely rotational. To induce angular momentum, one needs to find a material that can accommodate a twisted normal mode, two orthogonal modes, or excitation of magnons. If excitation is too strong, one may exceed the Lindemann limit, so the material melts. Therefore these methods are not ideal. Here, we theoretically propose a route to phonon angular momentum in a molecular crystal C 60 . We find that a single laser pulse is able to inject a significant amount of angular momentum to C 60 , and the momentum transfer is helicity dependent. Changing from right-circularly polarized light to left-circularly polarized light switches the direction of phonon angular momentum. On the ultrafast timescale, the orbital angular momentum change closely resembles the displacive excitation of coherent phonons, with a cosine-function dependence on time, different from the spin counterpart. Atomic displacements, even under strong laser excitation, remain far below the Lindemann criterion. Under thermal excitation, spinning C 60 even at room temperature generates a huge angular momentum close to several hundred h¯. Our finding opens the door to a large group of fullerenes, from C 60 , C 70 to their endohedral derivatives, where angular momentum can be generated through light or temperature. Furthermore, this paves the way to the phononic control electronic spin and harvesting thermal energy through phonon angular momentum.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Comparison of interband related optical transitions and excitons in ZnGeN 2 and GaN

The optical dielectric function of ZnGeN 2 is calculated from the interband transitions using the energy bands calculated in the quasiparticle self-consistent (QS)GW^ method using two different levels of approximation: the independent particle approximation (IPA) and the Bethe-Salpeter Equation (BSE) approach. The first allows us to relate peaks in ε 2 to specific bands and k-points but does not include electron-hole interaction effects. The second includes electron-hole interaction or excitonic effects. The corresponding changes in the shape of ε 2 (ω) are found to be similar to those in GaN. The screened Coulomb interaction W^ is here calculated including electron-hole interactions in the polarization function and gives a band structure already going beyond the random phase approximation. The static dielectric constants including only electronic screening, commonly referred to as ε∞ , were calculated separately by extrapolating the wave vector dependent macroscopic dielectric function in the long-wavelength limit. Below the quasiparticle gap, we find three bound excitons optically active for different polarization. The convergence of these bound excitons with respect to the density of the k-mesh used in the BSE is studied and found to require a fine mesh. It is also found that these bound excitons originate from only the lowest conduction band and the top three valence bands. To incorporate the lattice screening, we include a scaling factor (ε∞/ε 0 ) 2 , which allows us to obtain exciton binding energies of the correct order of magnitude similar to those in GaN. Here, the excitons are related to each of the three fold split valence bands and the splittings of the latter are also studied as function of strain. Finally, a relation between the anisotropic effective masses and the valence band splitting is pointed out and explained.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Light-induced new collective modes in the superconductor La 1.905 Ba 0.095 CuO 4

Here, we report near and midinfrared pump, c-axis terahertz probe measurements on a superconducting single crystal La 1.905 Ba 0.095 CuO 4 with T c = 32 K. The measurements reveal that the pump-induced change occurs predominantly at the Josephson plasma edge position below T c . Upon excitation by strong near-infrared pulses, the superconducting state is severely disturbed and incoherent quasiparticle excitations develop in the frequency regime above the static plasma edge. However, within a very short time delay (~ 1.5 ps) we observe the reappearance of a very sharp Josephson plasma edge at a frequency lower than the static Josephson plasma edge and the emergence of a new light-induced edge at a higher energy. The results imply that the light can induce new Josephson plasmon modes with different coupling strengths. A similar but weaker effect is observed for the midinfrared pump. No pump-induced effect is detected above T c .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Nonlinear Plasmonic Photoelectron Response of Ag(111)

Photons can excite collective and single-particle excitations in metals; the collective plasmonic excitations are of keen interest in physics, chemistry, optics, and nanotechnology because they enhance coupling of electromagnetic energy and can drive nonlinear processes in electronic materials, particularly where their dielectric function ϵ(ω) approaches zero. Here, we investigate the nonlinear angle-resolved two-photon photoemission (2PP) spectroscopy of the Ag(111) surface through the ϵ(ω) near-zero region. In addition to the Einsteinian single-particle photoemission, the 2PP spectra report unequivocal signatures of nonlocal dielectric, plasmonically enhanced, excitation processes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Isotope Shifts of Radium Monofluoride Molecules

Isotope shifts of 223–226,228 Ra 19 F were measured for different vibrational levels in the electronic transition A 2 II 1/2 ←X 2 Σ + . The observed isotope shifts demonstrate the particularly high sensitivity of radium monofluoride to nuclear size effects, offering a stringent test of models describing the electronic density within the radium nucleus. Ab initio quantum chemical calculations are in excellent agreement with experimental observations. These results highlight some of the unique opportunities that short-lived molecules could offer in nuclear structure and in fundamental symmetry studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Electron Kinetics Induced by Ultrafast Photoexcitation of Warm Dense Matter in a 30-nm-Thick Foil

We report on the study of electron kinetics induced by intense femtosecond (fs) laser excitation of electrons in the 5d band of Au. Changes in the electron system are observed from the temporal evolution of ac conductivity and conduction electron density. The results reveal an increase of electron thermalization time with excitation energy density, contrary to the Fermi-liquid behavior of the decrease of thermalization time associated with the heating of conduction electrons. This is attributed to the severe mitigation of photoexcitation by Auger decay. The study also uncovers the shortening of 5d hole lifetime with the increase of photoexcitation rates. Overall, these unique findings provide valuable insights for understanding electron kinetics under extreme nonequilibrium conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗