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At least 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

INFRARED ABSORPTION LINES TOWARD NGC 7538 IRS 1: ABUNDANCES OF H{sub 2}, H{sub 3}{sup +}, AND CO

We report high-resolution near-infrared absorption spectroscopy of H{sub 2}, H{sub 3}{sup +}, and CO toward the young high mass object NGC 7538 IRS 1. The v = 1–0 H{sub 2} S(0) line and lines in the CO v = 2–0 band were detected; the v = 1–0 H{sub 2} S(1) line and the v = 1–0 H{sub 3}{sup +} lines [R(1, 1){sup l}, R(1, 0), R(1, 1){sup u}] were not detected. The line of sight traverses two clouds, with temperatures 45 and 259 K and with roughly equal column densities of CO. Assuming that H{sub 2} is at the same temperature as CO and that the two species are uniformly mixed, [H{sub 2}]/[CO] = 3600 ± 1200. NGC 7538 is the most distant object from the Galactic center for which [H{sub 2}]/[CO] has been directly measured using infrared absorption spectroscopy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

HIGH-RESOLUTION IR ABSORPTION SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS: THE REALM OF ANHARMONICITY

We report on an experimental and theoretical investigation of the importance of anharmonicity in the 3-μm CH stretching region of polycyclic aromatic hydrocarbon (PAH) molecules. We present mass-resolved, high-resolution spectra of the gas-phase cold (∼4 K) linear PAH molecules naphthalene, anthracene, and tetracene. The measured IR spectra show a surprisingly high number of strong vibrational bands. For naphthalene, the observed bands are well separated and limited by the rotational contour, revealing the band symmetries. Comparisons are made to the harmonic and anharmonic approaches of the widely used Gaussian software. We also present calculated spectra of these acenes using the computational program SPECTRO, providing anharmonic predictions with a Fermi-resonance treatment that utilizes intensity redistribution. We demonstrate that the anharmonicity of the investigated acenes is strong, dominated by Fermi resonances between the fundamental and double combination modes, with triple combination bands as possible candidates to resolve remaining discrepancies. The anharmonic spectra as calculated with SPECTRO lead to predictions of the main bands that fall within 0.5% of the experimental frequencies. The implications for the aromatic infrared bands, specifically the 3-μm band, are discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

THE NASA AMES PAH IR SPECTROSCOPIC DATABASE VERSION 2.00: UPDATED CONTENT, WEB SITE, AND ON(OFF)LINE TOOLS

A significantly updated version of the NASA Ames PAH IR Spectroscopic Database, the first major revision since its release in 2010, is presented. The current version, version 2.00, contains 700 computational and 75 experimental spectra compared, respectively, with 583 and 60 in the initial release. The spectra span the 2.5-4000 μm (4000-2.5 cm{sup -1}) range. New tools are available on the site that allow one to analyze spectra in the database and compare them with imported astronomical spectra as well as a suite of IDL object classes (a collection of programs utilizing IDL's object-oriented programming capabilities) that permit offline analysis called the AmesPAHdbIDLSuite. Most noteworthy among the additions are the extension of the computational spectroscopic database to include a number of significantly larger polycyclic aromatic hydrocarbons (PAHs), the ability to visualize the molecular atomic motions corresponding to each vibrational mode, and a new tool that allows one to perform a non-negative least-squares fit of an imported astronomical spectrum with PAH spectra in the computational database. Finally, a methodology is described in the Appendix, and implemented using the AmesPAHdbIDLSuite, that allows the user to enforce charge balance during the fitting procedure.

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

Two methods to study inelastic neutron-scattering measurements based on ω n (q) versus S(q, ω) applied to the magnetic open honeycomb lattice Tb 2 Ir 3 Ga 9

This work describes two methods to fit the inelastic neutron-scattering spectrum S(q, ω) with wavevector q and frequency ω. The common and well-established method extracts the experimental spin-wave branches ω n (q) from the measured spectra S(q, ω) and then minimizes the difference between the observed and predicted frequencies. When n branches of frequencies are predicted but the measured frequencies overlap to produce only m < n branches, the weighted average of the predicted frequencies must be compared to the observed frequencies. A penalty is then exacted when the width of the predicted frequencies exceeds the width of the observed frequencies. The second method directly compares the measured and predicted intensities S(q, ω) over a grid {q i , ω j } in wavevector and frequency space. After subtracting background noise from the observed intensities, the theoretical intensities are scaled by a simple wavevector-dependent function that reflects the instrumental resolution. Furthermore, the advantages and disadvantages of each approach are demonstrated by studying the open honeycomb material Tb 2 Ir 3 Ga 9 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Magnetic tunability in tetragonal Mn–Rh–Ir–Sn inverse Heusler compounds

Abstract Gaining control over magnetic structure has been an ongoing challenge in materials that form complex, nanoscale, and non-collinear magnetic configurations. Recently, it was predicted that tuning the ratio of the Dzyaloshinskii–Moriya interaction to the uniaxial magnetic anisotropy in tetragonal inverse Heuslers through changes in composition could allow a range of interesting magnetic states to be accessed, from simple ferrimagnetism, to helical and antiskyrmionic phases. Here, we show tunability of the magnetic phase behavior in the Mn–Rh–Sn system through Ir substitution on the Rh substructure. Iridium substitution correlates to an increase in the strength of ferromagnetic exchange couplings, at the expense of antiferromagnetic exchange couplings. However, we do not observe the complex non-collinear magnetic phases proposed previously, likely due to the extremely narrow composition window where these phases are predicted to form in a bulk sample. This work highlights the sensitivity of complex magnetic structures to stoichiometry, which makes them difficult to discover empirically.

Physics↗
DOE OSTI2020

Intensity modulated Ir-192 brachytherapy using high-Z 3D printed applicators

Gynecologic cancers are often asymmetric, yet current Ir-192 brachytherapy techniques provide only limited radial modulation of the dose. The shielded solutions investigated here solve this by providing the ability to modulate between highly asymmetric and radially symmetric dose distributions at a given location. To find applicator designs that can modulate between full dose and less than 50% dose, at the dimensions of the urethra, a 2D calculation algorithm was developed to narrow down the search space. Two shielding design types were then further investigated using Monte Carlo and Boltzmann-solver dose calculation algorithms. 3D printing techniques using ISO 10993 certified biocompatible plastics and 3D printable tungsten-loaded plastics were tested. It was also found that shadowing effects set by the shape of the shielding cannot be easily modulated out, hence careful design is required. The shielded applicator designs investigated here, allow for reduction of the dose by over 50% at 5 mm from the applicator surface in desired regions, while also allowing radially symmetric dose with isodose line deviations less than 0.5 mm from circular. The shielding designs were also chosen with treatment delivery time in mind. Treatment times for these shielded designs were found to be less than 1.4 times longer than a 6-channel unshielded cylinder for the equivalent fully symmetric dose distribution. The 2D calculation methods developed here provide a simple way to rapidly evaluate shielding designs, while the 3D printing techniques also allow for devices with novel shapes to be rapidly prototyped. Both TOPAS Monte Carlo and Acuros BV calculations show that significant dose shaping and organ at risk sparing can be achieved without significantly compromising the plan in regions that require the full dose.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

The IR obstruction to UV completion for Dante’s Inferno model with higher-dimensional gauge theory origin

We continue our investigation of large field inflation models obtained from higher-dimensional gauge theories, initiated in our previous study http://dx.doi.org/10.1088/1475-7516/2015/02/031. We focus on Dante’s Inferno model which was the most preferred model in our previous analysis. We point out the relevance of the IR obstruction to UV completion, which constrains the form of the potential of the massive vector field, under the current observational upper bound on the tensor to scalar ratio. We also show that in simple examples of the potential arising from DBI action of a D5-brane and that of an NS5-brane that the inflation takes place in the field range which is within the convergence radius of the Taylor expansion. This is in contrast to the well known examples of axion monodromy inflation where inflaton takes place outside the convergence radius of the Taylor expansion. This difference arises from the very essence of Dante’s Inferno model that the effective inflaton potential is stretched in the inflaton field direction compared with the potential for the original field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

MATRYOSHKA HOLES: NESTED EMISSION RINGS IN THE TRANSITIONAL DISK OPH IRS 48

The processes that form transition disks-disks with depleted inner regions-are not well understood; possible scenarios include planet formation, grain growth, and photoevaporation. Disks with spatially resolved dust holes are rare, but, in general, even less is known about the gas structure. The disk surrounding the A0 star Oph IRS 48 in the nearby {rho} Ophiuchus region has a 30 AU radius hole previously detected in the 18.7 {mu}m dust continuum and in warm CO in the 5 {mu}m fundamental rovibrational band. We present here Submillimeter Array 880 {mu}m continuum imaging resolving an inner hole. However, the radius of the hole in the millimeter dust is only 13 AU, significantly smaller than measured at other wavelengths. The nesting structure of the disk is counter intuitive, with increasingly large radius rings of emission seen in the millimeter dust (12.9{sup +1.7}{sub -3.4} AU), 5 {mu}m CO (30 AU), and 18.7 {mu}m dust (peaking at 55 AU). We discuss possible explanations for this structure, including self-shadowing that cools the disk surface layers, photodissociation of CO, and photoevaporation. However, understanding this unusual disk within the stringent multi-wavelength spatial constraints will require further observations to search for cold atomic and molecular gas.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

NEW ACCURATE MEASUREMENT OF {sup 36}ArH{sup +} AND {sup 38}ArH{sup +} RO-VIBRATIONAL TRANSITIONS BY HIGH RESOLUTION IR ABSORPTION SPECTROSCOPY

The protonated argon ion, {sup 36}ArH{sup +}, was recently identified in the Crab Nebula from Herschel spectra. Given the atmospheric opacity at the frequency of its J = 1-0 and J = 2-1 rotational transitions (617.5 and 1234.6 GHz, respectively), and the current lack of appropriate space observatories after the recent end of the Herschel mission, future studies on this molecule will rely on mid-infrared observations. We report on accurate wavenumber measurements of {sup 36}ArH{sup +} and {sup 38}ArH{sup +} rotation-vibration transitions in the v = 1-0 band in the range 4.1-3.7 μm (2450-2715 cm{sup –1}). The wavenumbers of the R(0) transitions of the v = 1-0 band are 2612.50135 ± 0.00033 and 2610.70177 ± 0.00042 cm{sup –1} (±3σ) for {sup 36}ArH{sup +} and {sup 38}ArH{sup +}, respectively. The calculated opacity for a gas thermalized at a temperature of 100 K and with a linewidth of 1 km s{sup –1} of the R(0) line is 1.6 × 10{sup –15} × N({sup 36}ArH{sup +}). For column densities of {sup 36}ArH{sup +} larger than 1 × 10{sup 13} cm{sup –2}, significant absorption by the R(0) line can be expected against bright mid-IR sources.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Attosecond coherent control of oxygen dissociation by XUV-IR laser fields using three-dimensional momentum imaging

In this paper, we have performed ultrafast three-dimensional ion momentum imaging spectroscopy on the dissociative single ionization of oxygen molecules using attosecond pulse trains with a broad energy spectrum of 5–30 eV. High-resolution momentum imaging allows clear identification of vibrational structures corresponding to the predissociation of highly excited cationic states. By adding a pump infrared field that is synchronized with and polarized orthogonally to the XUV pulse train, and an additional probe IR field, we demonstrate how the yield of O + ions can be steered between different dissociation channels by coherently controlling the coupling between multiple O 2 + * electronic states on an attosecond time scale. Finally, time-dependent calculations in a single active electron approximation allow a qualitative analysis of ion yields for two orientations of the molecular axis.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Large-area photon calorimeter with Ir-Pt bilayer transition-edge sensor for the CUPID experiment

CUPID is a next-generation neutrinoless double-β decay experiment that will require cryogenic light detectors to improve background suppression, via the simultaneous readout of heat and light channels from its scintillating crystals. In this work, we showcase light detectors based on an alternative Ir-Pt bilayer transition-edge sensor. We have performed a systematic study to improve the thermal coupling between the photon absorber and the sensor, and thereby its responsivity. Our first devices meet CUPID's baseline noise requirement of < 100 eV rms. Our detectors have risetimes of approximately 180μs and measured timing jitter of < 20μs for the expected signal to noise at the Q value of the decay, which achieves the CUPID's criterion of rejecting two-neutrino double-β decay pile-up events. In conclusion, the current work will inform the fabrication of future devices, culminating in the final TES design and a scaleable readout scheme for CUPID.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Canted antiferromagnetic order and spin dynamics in the honeycomb-lattice compound Tb 2 Ir 3 Ga 9

Here, single-crystal neutron diffraction, inelastic neutron scattering, bulk magnetization measurements, and first-principles calculations are used to investigate the magnetic properties of the honeycomb lattice Tb 2 Ir 3 Ga 9 . While the R ln 2 magnetic contribution to the low-temperature entropy indicates a J eff = 1 / 2 moment for the lowest-energy crystal-field doublet, the Tb 3 + ions form a canted antiferromagnetic structure below 12.5 K. Due to the Dzyaloshinskii-Moriya interactions, the Tb moments in the a b plane are slightly canted towards b with a canted moment of 1.22 μ B per formula unit. A minimal x x z spin Hamiltonian is used to simultaneously fit the spin-wave frequencies along the high-symmetry directions and the field dependence of the magnetization along the three crystallographic axes. Long-range magnetic interactions for both in-plane and out-of-plane couplings up to the second nearest neighbors are needed to account for the observed static and dynamic properties. The z component of the exchange interactions between Tb moments is larger than the x and y components. This compound also exhibits bond-dependent exchange with negligible nearest-neighbor exchange coupling between moments parallel and perpendicular to the 4 f orbitals. Despite the J eff = 1 / 2 moments, the spin Hamiltonian is denominated by a large in-plane anisotropy K z ~ – 1 meV . DFT calculations confirm the antiferromagnetic ground state and the substantial interplane coupling at larger Tb-Tb distances.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Single-ion anisotropy is necessary and appropriate to study the magnetic behavior of ${\mathrm{Tb}}^{3+}$ moments with ${J}_{\text{eff}}=\frac{1}{2}$ on the honeycomb lattice in ${\mathrm{Tb}}_{2}{\mathrm{Ir}}_{3}{\mathrm{Ga}}_{9}$

By developing models of increasing complexity, we show that a model without single-ion anisotropy (SIA) cannot explain the magnetic properties of J eff = 1 / 2 Tb 3+ moments in the orthorhombically distorted, honeycomb material Tb 2 Ir 3 Ga 9 . In four different models for the magnetization of a single honeycomb layer, the only sources of anisotropy are symmetric exchange interactions J nαβ = J nβα along three different bonds n , an anisotropic $\underline{g}$ tensor, and a Dzyalloshinskii-Moriya interaction (asymmetric exchange) that produces the observed canted moment along b . With 21 parameters, the best such model yields χ 2 = 0.065 , which is substantially smaller than χ 2 = 0.112 obtained using a Heisenberg model containing six parameters including easy-axis anisotropy. However, models without SIA fail to reproduce the linear dependence of the magnetization with a field perpendicular to the Ising axis while predicting a saturation magnetization that is far too low. Due to the complex crystal-field environments, we argue that SIA is necessary to study low-symmetry, three-dimensional J eff = 1 / 2 materials containing Tb 3+ ions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Spin-orbit coupling driven orbital-selective doping effect in Sr 2 Ru 1 - x Ir x O 4

Orbital-selective phenomena in mutliorbital systems have received much attention due to their uniqueness as well as possible connections to other phenomena. As orbital-selectiveness is mostly related to the crystal structure, finding a new control parameter other than structure would be of significant importance. Here in this paper we report discovery of an orbital-selective doping effect in Sr 2 Ru 1 - x Ir x O 4 (SRIO). Our systematic electronic structure study of SRIO reveals an anomalous orbital-selective doping effect and concomitant Lifshitz transitions (LTs) in the γ band. With the help of a tight-binding calculation, we find that the orbital-selective doping effect is due to variation in the spin-orbit coupling (SOC) strength. Our findings not only elucidate the mechanism of LTs in the γ band in SRIO but may also open new avenues for novel SOC-controlled orbital-selective phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Nonthermal breaking of magnetic order via photogenerated spin defects in the spin-orbit coupled insulator Sr 3 Ir 2 O 7

In many strongly correlated insulators, antiferromagnetic order competes with exotic and technologically relevant phases, like superconductivity. While control of spin order is critical to stabilize different functional states, elucidating the mechanism of laser-induced demagnetization in complex oxides remains a challenge. It is unknown if the optical pulse can quench magnetization nonthermally or if it instead only acts as a heat source. In this study, we used ultrafast, broadband, optical spectroscopy to track the responses of the electronic, lattice, and spin degrees of freedom and their relation to antiferromagnetism in the strongly spin-orbit coupled insulator Sr 3 Ir 2 O 7 . We find that magnetization can be rapidly and strongly suppressed on a sub-150 fs timescale. At low excitation fluences, the magnetic recovery is fast; however, the recovery time increases dramatically with the magnitude of demagnetization. At the same time, we show that the lattice, evidenced through the A g phonon frequencies, appears to remain below T N , suggesting that the system remains nonthermal during the optical modulation of spin order. We suggest that photogenerated spin defects are responsible for the long-lived demagnetized state and discuss its implications for optical control of solids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Possible unconventional pairing in ( Ca , Sr ) 3 ( Ir , Rh ) 4 Sn 13 superconductors revealed by controlling disorder

Here we study the evolution of temperature-dependent resistivity with added pointlike disorder induced by 2.5 MeV electron irradiation in stoichiometric compositions of the “3-4-13” stannides, (Ca,Sr) 3 (Ir,Rh) 4 Sn 13 . Three of these cubic compounds exhibit a proposed microscopic coexistence of charge density wave (CDW) order and superconductivity (SC), while Ca 3 Rh 4 Sn 13 does not develop CDW order. As expected, the CDW transition temperature T CDW is universally suppressed by irradiation in all three compositions. The superconducting transition temperature, T c , behaves in a more complex manner. In Sr 3 Rh 4 Sn 13 , it increases initially in a way consistent with a direct competition of CDW and SC, but quickly saturates at higher irradiation doses. In the other three compounds, T c is monotonically suppressed by irradiation. The strongest suppression is found in Ca 3 Rh 4 Sn 13 , which does not have CDW order. We further examine this composition by measuring the London penetration depth λ(T), from which we derive the superfluid density. The result unambiguously points to a weak-coupling, full single gap, isotropic superconducting state. Therefore we must explain two seemingly incompatible experimental observations: a single isotropic superconducting gap and a significant suppression of T c by nonmagnetic disorder. We conduct a quantitative theoretical analysis based on a generalized Anderson theorem which points to an unconventional multiband s +– -pairing state where the sign of the order parameter is different on one (or a small subset) of the smaller Fermi surface sheets but remains isotropic and overall fully gapped.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Ground-state degeneracy and complex magnetism of geometrically frustrated Gd 2 Ir 0.97 Si 2.97

We report a new triangular-lattice intermetallic compound Gd 2 Ir 0.97 Si 2.97 was successfully synthesized as single phase by deliberately introducing vacancies. Theoretical analysis suggests that the ground state is competing with several low-energy spin configurations due to magnetic frustration on a nearly ideal triangular lattice. Despite a number of competing magnetic states, the compound exhibits long-range antiferromagnetic order at16K, a long-range ferrimagnetic transition at 6.5 K, and a reentrant cluster-glass transition below T f ~ 3K. The complex magnetism in the compound could be correlated with competing antiferromagnetic and ferrimagnetic structures predicted theoretically.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Spreading resistance effects in tunneling spectroscopy of α–RuCl 3 and Ir 0.5 Ru 0.5 Cl 3

The Mott insulating state is the progenitor of many interesting quantum phases of matter including the famous high-temperature superconductors and quantum spin liquids. A recent candidate for novel spin liquid phenomena is α–RuCl 3 , a layered honeycomb Mott insulator whose electronic structure has been a source of mystery. In particular, scanning tunneling spectroscopy has indicated a Mott gap in α–RuCl 3 that is much lower than the 2-eV value observed in photoemission measurements. Here, we show that the origin of this discrepancy is a spreading resistance artifact associated with tunneling into highly resistive materials by comparing with prior experiments and numerical modeling. Furthermore, a similar phenomenon is also observed in a substitutional alloy, Ir 0.5 Ru 0.5 Cl 3 , that has a higher resistivity than the parent compound. While the tunneling measurements cannot be used to accurately measure the sample density of states for these materials, we can take advantage of the spreading resistance sensitivity to quantify the anisotropic resistivity of these layered materials and connect to previous macroscopic transport observations.

2-dimensional systems↗