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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Coherent band-edge oscillations and dynamic longitudinal-optical phonon mode splitting as evidence for polarons in perovskites

The coherence of collective modes, such as phonons and polarons, and their modulation of electronic states is long sought in complex systems, which is a crosscutting issue in photovoltaics and quantum electronics. In photovoltaic cells and lasers based on metal halide perovskites, the presence of polarons, i.e., photocarriers dressed by the macroscopic motion of charged lattice, assisted by terahertz (THz) longitudinal-optical (LO) phonons, has been intensely studied yet is still debated. This may be key for explaining the remarkable properties of the perovskite materials, e.g., defect tolerance, long charge lifetimes, and diffusion lengths. In this work we use the intense single-cycle THz pulse with peak electric field up to E THz = 1000 kV/cm to drive coherent polaronic band-edge oscillations at room temperature in CH 3 NH 3 PbI 3 (MAPbI 3 ). We reveal the oscillatory behavior is dominated by a specific quantized lattice vibration mode at $ω$ LO ~ 4 THz, which is both dipole and momentum forbidden. THz-driven coherent polaron dynamics exhibits distinguishing features: room temperature coherent oscillations at ω LO longer than 1 ps in both single crystals and thin films, mode-selective modulation of different band-edge states assisted by electron-phonon interaction, and dynamic mode splitting at low temperature due to entropy and anharmonicity of organic cations. Our results demonstrate intense THz-driven coherent band-edge modulation is a powerful probe of electron-lattice coupling phenomena and polaronic quantum control in perovskites.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Theory of optical responses in clean multi-band superconductors

Electromagnetic responses in superconductors provide valuable information on the pairing symmetry as well as physical quantities such as the superfluid density. However, at the superconducting gap energy scale, optical excitations of the Bogoliugov quasiparticles are forbidden in conventional Bardeen-Cooper-Schrieffer superconductors when momentum is conserved. Accordingly, far-infrared optical responses have been understood in the framework of a dirty-limit theory by Mattis and Bardeen for over 60 years. Here we show, by investigating the selection rules imposed by particle-hole symmetry and unitary symmetries, that intrinsic momentum-conserving optical excitations can occur in clean multi-band superconductors when one of the following three conditions is satisfied: (i) inversion symmetry breaking, (ii) symmetry protection of the Bogoliubov Fermi surfaces, or (iii) simply finite spin-orbit coupling with unbroken time reversal and inversion symmetries. This result indicates that clean-limit optical responses are common beyond the straightforward case of broken inversion symmetry. We apply our theory to optical responses in FeSe, a clean multi-band superconductor with inversion symmetry and significant spin-orbit coupling. This result paves the way for studying clean-limit superconductors through optical measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

Shocked forbidden O I 63 micron line emission from the supernova remnant IC 443

Observations of the fine-structure emission from the forbidden O I 63 micron line in the SNR IC 443 are presented. It is shown that the emission correlates well with the distribution of line emission from shock-excited molecular hydrogen, which leads to the conclusion that the line is shock-excited. X-ray heating as well as UV-heating from a photodissociation region is ruled out as a possible excitation mechanism for the emission. It is shown that the forbidden O I 63 micron line is an important contributor to the total emission in the IRAS 60 micron band, estimated as approximately 40-75 percent of the total band flux. An attempt to shock model the line emission from IC 443 is made; however, to match the observational evidence, it has to be assumed that the shock is J-type, and that the oxygen chemistry is suppressed so that oxygen remains in atomic form and does not get converted into H2O. However, no theoretical rationale for these assumptions can be provided.

Burton, Michael G.↗
DOE OSTI2021

Search for Q ~0 Order near a Forbidden Bragg Position in Bi 2.1 Sr 1.9 CaCu 2 O 8+x with Resonant Soft X-ray Scattering

Identifying what broken symmetries are present in the cuprates has become a major area of research. Many authors have reported evidence for so-called “Q ~ 0” order that involves broken inversion, mirror, chiral, or time-reversal symmetry that is uniform in space. Not all these observations are well understood and new experimental probes are needed. Here we use resonant soft x-ray scattering (RSXS) to search for Q ~ 0 order in Bi 2.1 Sr 1.9 CaCu 2 O 8+x (Bi-2212) by measuring the region of a forbidden Bragg peak, (0,0,3), which is normally extinguished by symmetry but may become allowed on resonance if valence band order is present. Using circularly polarized light, we found that this reflection becomes allowed on the CuL 3 resonance for temperatures T c < T < T*, though remains absent in linear polarization and at other temperatures. This observation suggests the existence of spatially uniform valence band order near the pseudogap temperature. In addition, we observed periodic oscillations in the specular reflectivity from the sample surface that resemble thin film interference fringes, though no known film is present. These fringes are highly resonant, appear in all polarizations, and exhibit a period that depends on the location where the beam strikes the sample surface. We speculate that these fringes arise from interaction between some intrinsic valence band instability and extrinsic structural surface morphologies of the material. Our study supports the existence of some kind of Q ~ 0 broken symmetry state in Bi-2212 at intermediate temperatures. Further studies using a microfocused beam, which could disentangle microscopic effects from macroscopic heterogeneities, are needed to ascertain the universality of the effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1982

An investigation of impurity centers in semiconductors of variable composition. Part 1: General theory and some applications

A theory of deep point defects imbedded in otherwise perfect semiconductor crystals is developed with the aid of pseudopotentials. The dominant short-range forces engendered by the impurity are sufficiently weakened in all cases where the cancellation theorem of the pseudopotential formalism is operative. Thus, effective-mass-like equations exhibiting local effective potentials derived from nonlocal pseudopotentials are shown to be valid for a large class of defects. A two-band secular determinant for the energy eigenvalues of deep defects is also derived from the set of integral equations which corresponds to the set of differential equations of the effective-mass type. Subsequently, the theory in its simplest form, is applied to the system Al(x)Ga(1-x)As:Se. It is shown that the one-electron donor level of Se within the forbidden gap of Al(x)Ga(1-x)As as a function of the AlAs mole fraction x reaches its maximum of about 300 meV (as measured from the conduction band edge) at the cross-over from the direct to the indirect band-gap at x = 0.44 in agreement with experiments.

Vonroos, O. H.↗
NASA NTRS1986

High-dispersion observations of alpha Bootis (K1 III) with the International Ultraviolet Explorer

Echelle spectrograms were obtained of the early-K red giant Arcturus in the far UV 1150-2000 A and middle-UV 2000-3200 A regions. Faint emission from forbidden Si II at 1892.0 A was detected. A surface flux of C IV was measured that was less than 1 percent of the solar surface flux. An observed faint spectral structure near 1380 A is believed due to the bands of the A-X fourth positive system of CO fluoresced by strong chromospheric emissions of the O I triplet. Constraints on the chromospheric structure, as evidenced by the fluorescent emissions and density-sensitive line ratios from multiplet UV lines of forbidden C II, are discussed.

Ayres, T. R.↗
NASA NTRS1986

An apparent gravitational lens with an image separation of 2.6 arc min

Observations are reported which confirm Paczynski's 1986 speculation that the previously known (Arp and Hazard, 1980) pair of 19th magnitude quasars 1146+111B,C are actually two images of a single object produced by a gravitational lens. The image split is 157 arcsec, more than 20 times greater than any previously reported, thus indicating an exceptionally massive lensing object. The data supporting the lens hypothesis are remarkably similar, high signal-to-noise, moderate resolution spectra of the two components. Both spectra show strong Mg II 2798-angstrom emission at z = 1.012 plus or minus 0.001 with indistinguishable redshifts (delta v = 126 plus or minus 309 km/s), widths (FWHM = 64 plus or minus 4 angstroms) and detailed profile shapes. Both spectra also show broad troughs at 6180 angstroms and several weaker continuum features. Neither object exhibits the O II 3727-A forbidden line which is frequently strong in Mg II emission objects. If the foreground galaxy clustering apparent in a deep R band charge-coupled device image proves insufficient to explain the large image splitting, other possibilities such as massive dark objects (e.g. a black hole of about 10 to the 15th solar masses) or a cosmic string may be indicated.

Turner, E. L.↗
NASA NTRS1990

The distribution of warm ionized gas in NGC 891

Narrow-band imaging is presented of the edge-on spiral NGC 891 in the H-alpha and S II 6716, 6731 A forbidden lines. Emission from H II regions confined to the plane of the galaxy and from diffuse gas up to about 4 kpc off the plane is readily detected. The full radial extent of the diffuse emission in the plane is about 30 kpc. NGC 891 is found to have a surface density of diffuse ionized gas twice the Galactic value, a thicker ionized gas layer, and a larger surface density of ionized gas relative to neutral gas. These are interpreted as consequences of a relatively high level of star formation in this galaxy. Other star formation tracers indicate the same conclusion. Many vertical H-alpha filaments, or 'worms,' extending to over 2 kpc off the plane of the galaxy are seen. These worms are interpreted in terms of chimney models for the interstellar media of spirals.

Rand, Richard J.↗
NASA NTRS1991

Near-infrared emission-line images of three Herbig-Haro objects

Flux-calibrated imagery in five emission-line and four narrow-band continuum filters are presented for three classical Herbig-Haro (HH) objects, HH 7-11, HH 12, and HH 34. 1.64 micron forbidden Fe II emission is detected in all three objects whose intensity is typically 20 percent. This line should be an excellent tracer of shocked ionized gas in highly obscured regions. Extinction appears to be unimportant in determining the morphology of these HH object systems. No near-IR continuum emission was detected from any of the HH objects, implying that these regions do not contain embedded stars. At positions where the flow terminates against a large obstacle, there are significant offsets between the shocked flow material and the shocked ambient medium.

Stapelfeldt, Karl R.↗
DOE OSTI2022

Quasiparticle self-consistent GW band structures and phase transitions of LiAlO 2 in tetrahedrally and octahedrally coordinated structures

In this work, a first-principles computational study is presented of various phases of LiAlO 2 . The relative total energies and equations of state of the α, β, and γ phases are determined after structural relaxation of each phase. The β and γ tetrahedral phases are found to be very close in energy and lattice volume with the γ phase having the lowest energy. The octahedral α phase is a high-pressure phase and the transition pressure from the γ and β phases to α is determined to be about 1 GPa. The electronic band structures of each phase at their own equilibrium volume are determined using the quasiparticle self-consistent (QS) GW method as well as using the 0.8 Σ approach in which the QS GW self-energy is reduced by a factor of 0.8 to correct for the underscreening of W in QS GW. The effective masses of the band edges and the nature of the band gaps are presented. The lowest energy γ phase is found to have a pseudodirect gap of 7.69 eV. The gap is direct at Γ but corresponds to a dipole forbidden transition. The imaginary part of the dielectric function and the absorption coefficient are calculated in the long-wavelength limit and the random phase approximation, without local field or electron-hole interaction effects for each phase, and their anisotropies are discussed. Si doping on the Al site is investigated as a possible n-type dopant in γ-LiAlO 2 using a 128-atom supercell corresponding to 3.125% Si on the Al sublattice in the generalized gradient approximation and a smaller 16-atom cell with 25% Si in the QS GW approximation. The Si is found to significantly perturb the conduction band and lower the gap but a clearly separated deep donor defect level is not found. However, the donor binding energy is still expected to be relatively deep, on the order of a few tenths eV in the hydrogenic effective mass approximation.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Spectroscopy of Comet P/Encke in 1980 - 1981

Digital spectroscopic scans of P/Comets Encke, Stephan-Oterma, and Gunn were obtained with a sky-subtraction scanner system. Quantiative fluxes for the cometary emission bands of CN, C3, C2, NH2, and the 'D OI red auroral line are presented for P/Encke. The most straight-forward and model-independent line flux to interpret is the lambda lambda 6300, 6364 forbidden oxygen doublet. After an NH2 blending correction, the oxygen production rate may be directly measured from the Lick small-aperture fluxes. The oxygen production rates increased rapidly with decreasing heliocentric distance for both P/Encke and P/Stephan-Oterma. A rough power-law exponent in r with n = approximately -2.5 describes the change in oxygen production for P/Encke. Compared to the water production rates inferred from IUE satellite spectra showing the lambda 3080 OH band, these oxygen production rates are consistently lower by a factor of 11. This implies a common origin for the two species; H2O is the likely sole OI ID parent.

Spinrad, H.↗
NASA NTRS1982

Laser-excitation technique for the measurement of absolute transition probabilities of weak atomic lines

A new technique is presented for the measurement of transition probabilities for weak allowed, intersystem, and forbidden lines. The method exploits the fact that oscillator strength is proportional to the number of stimulated absorptions and emissions produced by a narrow-band laser pulse of known energy which is in resonance with an atomic transition. The method is tested for a particular transition of Mg I with a known oscillator strength value and of appropriate magnitude. The number densities are measured using a Mach-Zehnder interferometer and the hook method for the lower level population and by measuring an absorption-equivalent width for the other. The apparatus consisted of a high-power tunable laser and a magnesium oven to produce excited Mg vapor, and a laser-plasma background continuum. The results are in good agreement with theoretical and other experimental data.

Kwong, H. S.↗
NASA NTRS1992

The 0623 + 71 bow shock nebula

Deep radio continuum and deep narrow-band optical emission-line images showing the cataclysmic variable 0623 + 71 engulfed in a bow shock morphology are presented. The limb-brightened H-alpha, forbidden N II and 6 cm radio continuum emission regions define the global nebular morphology, extending to much greater spatial distances than the apex-confined forbidden O III. These morphologies are consistent with shock excitation. Complementary spectroscopy (3400-7400 A) is presented for the apex and east and west limbs of the bow shock, yielding diagnostic emission-line parameters which also indicate shock excitation. Moreover, archival IUE spectra (1200-2000 A) suggest that 06231 + 71 may be in a standstill phase. A mass-loss rate of about 1.4 x 10 exp -11 solar masses/yr and a total nebular mass of about 2.4 x 10 exp -3 solar masses are derived. Thus the nebula, by virtue of its small mass and shock excited line emission, is not a planetary nebula; it is simply a cataclysmic binary system with a strong stellar wind moving supersonically with respect to the interstellar medium.

Hollis, J. M.↗
DOE OSTI2024

Color center in β -Ga 2 O 3 emitting at the telecom range

Transition metal (TM) ions incorporated into a host from a wide bandgap semiconductor are recognized as a promising system for quantum technologies with enormous potential. In this work, we report on a TM color center in β-Ga 2 O 3 with physical properties attractive for quantum information applications. The center is found to emit at 1.316 μm and exhibits weak coupling to phonons, with optically addressable higher-lying excited states, beneficial for single-photon emission within the telecom range (O-band). Using magneto-photoluminescence (PL) complemented by time-resolved PL measurements, we identify the monitored emission to be internal 1 E→ 3 A 2 spin-forbidden transitions of a 3d 8 TM ion with a spin-triplet ground state—a possible candidate for a spin qubit. We tentatively attribute this color center to a complex involving a sixfold coordinated Cu 3+ ion.

36 MATERIALS SCIENCE↗
NASA NTRS1992

The ionization cone, obscured nucleus, and gaseous outflow in NGC 3281 - A prototypical Seyfert 2 galaxy?

Narrow-band images and long-slit spectroscopy of the central region of the highly inclined Seyfert galaxy NGC 3281 are presented. The image of the continuum-subtracted forbidden 4959 emission line shows a very clear conical morphology for the high-excitation gas. A possible similar structure can also be seen on the other side of the nucleus, but is dimmed by patchy obscuration in the dusk. The continuum images and long-slit spectroscopy are used to derive and map the extinction in the inner regions of NGC 3281; heavy obscuration is found along the present line of sight to the apex of the cone, suggesting that the true nucleus is located at the apex and is obscured. Low-resolution long-slit spectra are used to study the stellar population, which is found to be old, uniform within 2.5 kpc of the nucleus, and typical of the bulges of early-type galaxies. It is suggested that NGC3281 may be another example of a 'hidden' Seyfert 1, even though there is no direct evidence for a broad-line region in this particular galaxy.

Storchi-Bergmann, Thaisa↗
NASA NTRS1972

Search for coronal line emission from the Cygnus Loop.

The flux from the edges of the Cygnus Loop in the forbidden Fe XIV coronal line at 5303 A is measured to be less than 5 nanoergs per sq cm per sterad per sec (0.017 R) in a 3 A band centered on the line. This upper limit is an order of magnitude lower than the predicted total flux in the line and implies that there must be substantial broadening of the line profile by mass motion or that the temperature is somewhat higher than the present best estimate from X-ray data.

Kurtz, D. W.↗
NASA NTRS1995

Near-infrared spectra of compact stellar wind sources at the Galactic center

We present high- and low-resolution, H- and K-band spectra on nine compact 2.2 micrometers Galactic center sources in which we clearly detect He I 2.058 micrometers emission, including the AF source, IRS 13, IRS 1W, IRS 16NE, IRS 16NW, IRS 16C, IRS 16SW, IRS 34, and IRS 6E. We have also obtained comparison spectra of both a luminous blue variable (LBV) and a WR star (P Cygni and HD 192163, respectively). Our H- and K-band spectrum of the LBV P Cygni strongly resembles the near-infrared spectra of known WN9/Ofpe stars. Our spectra of the Galactic center sources share many characteristics in common with our spectrum of P Cygni. The spectra all show emission lines of H I and He I with large He I/H line flux ratios. Some have permitted and forbidden lines of Fe II. Brackett line widths and ratios indicate the presence of strong stellar winds. In contrast to the spectrum of the WR star, none of the Galactic center sources show evidence of He II emission lines in their spectra, suggesting that none of the Galactic center sources are WR stars. Our high-resolution H-band spectrum of the AF source differs from previously published low-resolution H-band spectra in that it is rich in emission lines. Furthermore, we find two distinct spectral components to the AF source separated in space by a few arcseconds. We identify both the emission-line component of the AF source and an exciting source of IRS 13 as an LBV or WN9/Ofpe star. Our results, when combined with the results of others, also suggest that IRS 16NE, IRS 16C, IRS 16NW, IRS 34, and a component of IRS 6E are early-type, emission-line stars. The argument for IRS 16SW, however, is less compelling. We find no evidence for a compact He I emission-line source at IRS 1W. This result contradicts previous findings, suggesting that the He I source at IRS 1W may be variable. If the He I lines in IRS 1W are truly variable, a stellar component of IRS 1W may be an LBV, because LBVs are known to have variable line emission on short timescales. The nine Galactic center wind sources appear to contribute a significant fraction of the total luminosity of the central few parsecs of the Galaxy.

Libonate, S.↗
DOE OSTI2025

Magneto-optical Evidence of the Tilting Effect in Coupled Weyl Bands

Theories have revealed the universality of the band tilting effect in topological Weyl semimetals (WSMs) and its implications for the material physical properties. However, the experimental identification of tilted Weyl bands remains less explored. Here, we report the magneto-optical evidence of the tilting effect in WSM niobium phosphide. Specifically, we observe Landau level transitions with rich features that are well reproduced within a model of coupled tilted Weyl points. Our analysis indicates that the tilting effect relaxes the selection rules and leads to transitions that would otherwise be forbidden in the non-tilt case. Additionally, we observe unconventional interband transitions with flat and negative magnetic field dispersions, highlighting the importance of coupling between Weyl points. Our results not only emphasize the significance of the tilting effect in the optical responses of WSMs but also demonstrate magneto-optics as an effective tool for probing the tilting effect in electronic band structures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗