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DOE OSTI2021

Mid-wave to near-IR optoelectronic properties and epsilon-near-zero behavior in indium-doped cadmium oxide

Indium-doped cadmium oxide (In:CdO) thin films exhibit tunable epsilon-near-zero (ENZ) modal frequencies across a wide spectral range, bridging the mid-wave and near-infrared (IR). In:CdO thin films are prepared by reactive cosputtering from metallic Cd and In targets using high-power impulse magnetron sputtering (HiPIMS) and radio frequency sputtering, respectively. Using this approach, CdO thin films with carrier concentrations ranging from 2.3 × 10 19 to 4.0 × 10 20 cm –3 and mobilities ranging from 300 to 400 cm 2 /Vs are readily achieved. UV-VIS absorption spectra are used to measure optical bandgap, revealing a Burstein-Moss shift of 0.58 eV across the doping range investigated. In this work, optical measurements demonstrate the tunability of near-perfect plasmonic ENZ absorption across the mid-wave and into the near-IR spectral ranges by controlling the carrier concentration through doping, while tuning the film thickness for impedance matching. In comparison to other dopants that can be introduced to HiPIMS-deposited CdO, In offers the largest range of carrier concentrations while maintaining high mobility, thus allowing for the widest accessibility of the IR spectrum of a single plasmonic material grown by sputtering.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Anomalous proximitized transport in metal/quantum magnet heterostructure Bi 2 Ir 2 O 7 /Yb 2 Ti 2 O 7

Fluctuations of quantum spins play a crucial role in the emergence of exotic magnetic phases and excitations. The lack of the charge degree of freedom in insulating quantum magnets, however, precludes such fluctuations from mediating electronic transport. Here, we show that the quantum fluctuations of a localized frustrated magnet induce strong proximitized charge transport of the conduction electrons in a synthetic heterostructure comprising an epitaxial Bi 2 Ir 2 O 7 ultrathin film on a single crystal of Yb 2 Ti 2 O 7 . The proximity effects are evidenced by the scaling behavior of the Bi 2 Ir 2 O 7 resistance in correspondence with the dynamic scaling of the dynamic spincorrelation function of Yb 2 Ti 2 O 7 , which is a result of quantum fluctuations near a multiphase quantum critical point. The proximitized transport in Bi 2 Ir 2 O 7 can be effectively tuned by a magnetic field through suppressing the quantum spin fluctuations (QSFs) as well as inducing transitions via magnetic anisotropy in Yb 2 Ti 2 O 7 . In this study, we establish a pathway for harnessing QSFs in magnetic insulators with electric transport, offering exciting prospects for potential applications in the realm of quantum spintronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Measurement of 𝐷-line energies in sodiumlike Ir

We report measurements of the 𝐷 1 and 𝐷 2 transition energies in Na-like Ir (Ir 66+ ). The 𝐷 1 3⁢𝑠−3⁢𝑝 1/2 transition energy, measured in the extreme ultraviolet (EUV) region at 169.977 ± 0.005 eV with a relative uncertainty of 29 ppm, represents one of the most precise 𝐷-line energy measurements to date for high atomic numbers 𝑍 ≥ 30. The 𝐷 2 3⁢𝑠−3⁢𝑝 3/2 transition energy, measured in the x-ray region, is 621.11 ± 0.06 eV. Therefore, there is a fine-structure separation of 451.13 ± 0.06 eV for the Na-like Ir 3⁢𝑝 levels. We present theoretical calculations of these energies using quantum electrodynamic-extended relativistic many-body perturbation theory and multiple-configuration Dirac-Hartree-Fock methods, and discuss the discrepancies between experimental and theoretical values. The prospect of determining the absolute nuclear charge radii of heavy elements, including rare isotopes, from these measurements is explored.

Atomic spectra↗

DOE OSTI2014

Modulated IR radiometry for determining thermal properties and basic characteristics of titanium thin films

Titanium thin films of different thicknesses were prepared by direct current magnetron sputtering to study modulated infrared (IR) radiometry as a tool for analyzing film thickness. Thickness was varied by regularly increasing the deposition time, keeping all the other deposition parameters constant. The influence of film thickness on morphological, structural, and electrical properties of the titanium coatings also was investigated. The experimental results revealed a systematic grain growth with increasing film thickness, along with enhanced film crystallinity, which led to increased electrical conductivity. Using the results obtained by modulated IR radiometry, the thickness of each thin film was calculated. These thickness values were then compared with the coating thickness measurements obtained by scanning electron microscopy. The values confirmed the reliability of modulated IR radiometry as an analysis tool for thin films and coatings, and for determining thicknesses in the micrometer range, in particular.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Sci—Fri AM: Mountain — 03: Current status of the NRC primary standard for {sup 192}Ir HDR brachytherapy sources

The Canadian primary standard for {sup 192}Ir HDR brachytherapy sources has been recently revised in a more accurate manner allowing for more realistic uncertainty estimation. Air-kerma strength S{sub k} is derived from measurements of the source's output using a graphite-walled spherical ionization chamber (2S) at several distances. Traceability to NRC primary standards for the {sup 192}Ir calibration coefficient N{sub k} is insured by estimating it as the inverse arithmetic mean of the inverse of the calibration coefficients for a {sup 137}Cs beam and the medium energy x-ray beam quality N250, both of which are traceable to NRC primary standards. The multiple-distance method is combined with a non-linear least squares fit to determine St, while at the same time removing the effects of room scatter and position offset. The previously used shadow-cone method for directly measuring the room scatter is found to be inadequate due to the increased scatter contribution from the lead cone itself, especially at short source-detector distances. Rather than including the reported 1% difference in source strength for {sup 192}Ir HDR sources of different construction into the total uncertainty, users are cautioned that the calibration coefficient provided by NRC is only valid for a microSelectron V2 model. A comprehensive uncertainty budged shows that the total one sigma uncertainty of the standard is actually 0.6% rather than the previously assumed 1.2%. NRC measured S{sub k} agrees within 0.03% of the manufacturer's value.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2016

SU-F-T-32: Evaluation of the Performance of a Multiple-Array-Diode Detector for Quality Assurance Tests in High-Dose-Rate Brachytherapy with Ir-192 Source

Purpose: To evaluate the performance of a two-dimensional (2D) array-diode- detector for geometric and dosimetric quality assurance (QA) tests of high-dose-rate (HDR) brachytherapy with an Ir-192-source. Methods: A phantom setup was designed that encapsulated a two-dimensional (2D) array-diode-detector (MapCheck2) and a catheter for the HDR brachytherapy Ir-192 source. This setup was used to perform both geometric and dosimetric quality assurance for the HDR-Ir192 source. The geometric tests included: (a) measurement of the position of the source and (b) spacing between different dwell positions. The dosimteric tests include: (a) linearity of output with time, (b) end effect and (c) relative dose verification. The 2D-dose distribution measured with MapCheck2 was used to perform the previous tests. The results of MapCheck2 were compared with the corresponding quality assurance testes performed with Gafchromic-film and well-ionization-chamber. Results: The position of the source and the spacing between different dwell-positions were reproducible within 1 mm accuracy by measuring the position of maximal dose using MapCheck2 in contrast to the film which showed a blurred image of the dwell positions due to limited film sensitivity to irradiation. The linearity of the dose with dwell times measured from MapCheck2 was superior to the linearity measured with ionization chamber due to higher signal-to-noise ratio of the diode readings. MapCheck2 provided more accurate measurement of the end effect with uncertainty < 1.5% in comparison with the ionization chamber uncertainty of 3%. Although MapCheck2 did not provide absolute calibration dosimeter for the activity of the source, it provided accurate tool for relative dose verification in HDR-brachytherapy. Conclusion: The 2D-array-diode-detector provides a practical, compact and accurate tool to perform quality assurance for HDR-brachytherapy with an Ir-192 source. The diodes in MapCheck2 have high radiation sensitivity and linearity that is superior to Gafchromic-films and ionization chamber used for geometric and dosimetric QA in HDR-brachytherapy, respectively.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

SU-G-JeP3-10: Update On a Real-Time Treatment Guidance System Using An IR Navigation System for Pleural PDT

Purpose: Photodynamic therapy (PDT) is used in conjunction with surgical debulking of tumorous tissue during treatment for pleural mesothelioma. One of the key components of effective PDT is uniform light distribution. Currently, light is monitored with 8 isotropic light detectors that are placed at specific locations inside the pleural cavity. A tracking system with real-time feedback software can be utilized to improve the uniformity of light in addition to the existing detectors. Methods: An infrared (IR) tracking camera is used to monitor the movement of the light source. The same system determines the pleural geometry of the treatment area. Software upgrades allow visualization of the pleural cavity as a two-dimensional volume. The treatment delivery wand was upgraded for ease of light delivery while incorporating the IR system. Isotropic detector locations are also displayed. Data from the tracking system is used to calculate the light fluence rate delivered. This data is also compared with in vivo data collected via the isotropic detectors. Furthermore, treatment volume information will be used to form light dose volume histograms of the pleural cavity. Results: In a phantom study, the light distribution was improved by using real-time guidance compared to the distribution when using detectors without guidance. With the tracking system, 2D data can be collected regarding light fluence rather than just the 8 discrete locations inside the pleural cavity. Light fluence distribution on the entire cavity can be calculated at every time in the treatment. Conclusion: The IR camera has been used successfully during pleural PDT patient treatment to track the motion of the light source and provide real-time display of 2D light fluence. It is possible to use the feedback system to deliver a more uniform dose of light throughout the pleural cavity.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2019

Enhanced thermoelectric performance of heavy-fermion compounds Yb TM 2 Zn 20 ( TM = Co, Rh, Ir) at low temperatures

Thermoelectricity allows direct conversion between heat and electricity, providing alternatives for green energy technologies. Despite these advantages, for most materials the energy conversion efficiency is limited by the tendency for the electrical and thermal conductivity to be proportional to each other and the Seebeck coefficient to be small. Here we report counter examples, where the heavy fermion compounds Yb TM 2 Zn 20 ( TM = Co, Rh, Ir) exhibit enhanced thermoelectric performance including a large power factor ( PF = 74 μW/cm-K 2 ; TM = Ir) and a high figure of merit ( ZT = 0.07; TM = Ir) at 35 K. The combination of the strongly hybridized electronic state originating from the Yb f -electrons and the novel structural features (large unit cell and possible soft phonon modes) leads to high power factors and small thermal conductivity values. This demonstrates that with further optimization these systems could provide a platform for the next generation of low temperature thermoelectric materials.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Optical Constants of an Apatite Single Crystal in the IR Range of 6–28 μm

On the basis of polarized IR-reflection spectra in the range of 5000–350 cm{sup –1} measured from the natural face of an optically transparent fluorapatite single crystal, components of a complex refractive index (optical constants) for radiation-vector orientations E ‖ c and E ⊥ c have been calculated by the Kramers–Kronig method. The fluorapatite single crystal has been chosen from several samples: it contains a minimum amount of impurities and has a high degree of crystallinity in accordance with the criteria of IR spectroscopy and Raman spectroscopy. Tabular data on optical constants for ordinary and extraordinary rays are given for the IR range of 6–28 μm. The obtained absorption spectra are compared with the results of quantum-chemical ab initio calculations within the B3LYP simulation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

Investigation of the Inductive-Resonant Interaction of Water Clusters in Fluorapatite Minerals Using Polarization IR and Raman Spectroscopy

Polarization studies of the vibrational spectra of clusters (H{sub 2}O){sub n} in samples of single-crystal fluorapatite of different deposits were carried out by infrared (IR) spectroscopy and Raman spectroscopy. The IR and Raman spectra were measured for two orthogonal directions of the external excitation field: parallel and perpendicular to the c-channels in fluorapatite single crystals. Interpretation of the interaction of the external electromagnetic field with clusters of water situated in microvoids and microcracks of the crystal with the structural groups of F…HO of apatite is given in the framework of the dipole–dipole approximation. This interaction has an induction–resonance character (IR spectroscopy) caused by the transfer of vibrational excitation from the F…HO groups to (H{sub 2}O){sub n} clusters. In the case of Raman spectroscopy, the induction character of the excitation of (H{sub 2}O){sub n} clusters takes place due to the transfer of electron excitation from the F…HO groups.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

UV and IR emission intensity in ZnO films, nanorods, and bulk single crystals doped with Er and additionally introduced impurities

For ZnO films, nanorods, and bulk single crystals doped with Er{sup +} ions, it is shown that the effect of codopants introduced into the cation and ion sublattices and the observation of a high-intensity emission band at the wavelength λ{sub max} = 1535 nm are defined by the local environment of the Er{sup +} ion. Doping of the films and single crystals with Er{sup +} ions by diffusion brings about an infrared (IR) emission band with a low intensity because of an inadequate concentration of impurity ions. The emission intensity of this band can be raised by introducing additional Ag, Au, or N{sup +} impurities into the ZnO films. The UV-emission intensity of the Er-doped films and single crystals at λ{sub max} = 368–372 nm is identical to that of the undoped films. ZnO nanorods doped with Er only or together with Al or Ga codopants exhibit only one IR band (at λ{sub max} = 1535 nm), whose intensity decreases upon the introduction of codopants. Doping of the nanorods with the N{sup +} gaseous impurity during growth (930 < T < 960°C) and then with the Er{sup +} impurity by diffusion does not yield a substantial increase in the IR-emission intensity compared to the that of the corresponding band for nanorods not doped with the N{sup +} impurity. In the Er-doped nanorods, whose photoluminescence spectra exhibit a high-intensity band at λ{sub max} = 1535 nm, the UV emission band at λ{sub max} = 372 nm is practically lacking.

36 MATERIALS SCIENCE↗

DOE OSTI2017

IR spectra of carbon-vacancy clusters in the topochemical transformation of silicon into silicon carbide

Using infrared (IR) spectroscopy and spectral ellipsometry, we experimentally confirmed the previously predicted mechanochemical effect of the stoichiometric composition disorder leading to the formation of carbon-vacancy structures in silicon carbide (SiC) films grown on silicon substrates by the atom substitution method. It was found that a band at 960 cm{sup –1} in the IR spectra of SiC films on silicon, corresponding to “carbon-vacancy clusters” is always present in SiC films grown under pure carbon monoxide (CO) or in a mixture of CO with silane (SiH{sub 4}) on Si substrates of different orientation and doping level and type. There is no absorption band in the region of 960 cm–1 in the IR spectra of SiC films synthesized at the optimum ratio of the CO and trichlorosilane (SiHCl{sub 3}) gas pressures. The previously predicted mechanism of the chemical reaction of substitution of Si atoms for carbon by the interaction of gases CO and SiHCl{sub 3} on the surface of the silicon substrate, which leads to the formation of epitaxial layers of single-crystal SiC, is experimentally confirmed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

Using Higher-Order Modes of Chalcogenide Optical Fibers for the Optimization of Evanescent Wave Mid-IR Spectroscopy

On the basis of a new theoretical approach that is proposed for solving tasks of the evanescent wave mid-IR spectroscopy, it is shown that the dispersion properties of higher-order modes of a multimode chalcogenide optical fiber partly immersed into an absorbing medium can be used for the creation of fiber-optic devices combining the functions of a supercontinuum generator and a sensing element for mid-IR spectroscopic sensors. The propagation of radiation in higher-order modes makes it possible to control the position of zero dispersion of group velocity and to generate supercontinuum with near-IR pumping. Using higher-order evanescent modes in a sensing element, it will be possible to increase its sensitivity and expand the dynamic range.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

IR Heat Treatment of Hybrid Steel-Al Joints

The technical objective of this CRADA is to develop and model a heat treatment process based on Infra- Red (IR) heating of a overcast Al/steel bimetallic joint to produce a T5 temper in a shorter period of time than is currently achievable and, separately, to produce a modified T6 temper for improved mechanical properties without the loss of joint integrity. IR heat treatments have been demonstrated to provide reduced processing time, reduced energy requirements, and improved material properties of Al components, including strength and elongation, relative to convective thermal heat treatment methods. A prototype IR furnace was assembled to heat treat these joints. The residual stress state of the joints were modeled in the as-cast condition, as well as the T5 and T6 condition. Neutrons were used to measure the residual stresses in the joints for various heat treatments. ORNL is uniquely equipped to partner with Vehma in the experimental evaluation and modeling of Al/steel bi-metallic joints. ORNL possesses a long history of microstructural, crystallographic and mechanical characterization of structural materials. Unique facilities at ORNL for this work include the NRSF2/HB-2B beamline at the High Flux Isotope Reactor (HFIR) for residual stress measurements with neutron diffraction, metallurgical expertise for heat treating and modeling capability of the manufacturing of these joints for residual stress prediction. All of these capabilities were utilized in this CRADA. The CRADA began in April 2011 and ended in September 2014 (41 months).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

AXION DECAY AND ANISOTROPY OF NEAR-IR EXTRAGALACTIC BACKGROUND LIGHT

The extragalactic background light (EBL) is composed of the cumulative radiation from all galaxies and active galactic nuclei over cosmic history. In addition to point sources, the EBL also contains information from diffuse sources of radiation. The angular power spectra of the near-infrared intensities could contain additional signals, and a complete understanding of the nature of the infrared (IR) background is still lacking in the literature. Here we explore the constraints that can be placed on particle decays, especially candidate dark matter (DM) models involving axions that trace DM halos of galaxies. Axions with a mass around a few electronvolts will decay via two photons with wavelengths in the near-IR band and will leave a signature in the IR background intensity power spectrum. Using recent power spectra measurements from the Hubble Space Telescope and the Cosmic Infrared Background Experiment, we find that the 0.6–1.6 μ m power spectra can be explained by axions with masses around 4 eV. The total axion abundance Ω{sub a} ≃ 0.05, and it is comparable to the baryon density of the universe. The suggested mean axion mass and abundance are not ruled out by existing cosmological observations. Interestingly, the axion model with a mass distribution is preferred by the data, which cannot be explained by the standard quantum chromodynamics theory and needs further discussion.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

THE SPECTACULAR RADIO-NEAR-IR-X-RAY JET OF 3C 111: THE X-RAY EMISSION MECHANISM AND JET KINEMATICS

Relativistic jets are the most energetic manifestation of the active galactic nucleus (AGN) phenomenon. AGN jets are observed from the radio through gamma-rays and carry copious amounts of matter and energy from the sub-parsec central regions out to the kiloparsec and often megaparsec scale galaxy and cluster environs. While most spatially resolved jets are seen in the radio, an increasing number have been discovered to emit in the optical/near-IR and/or X-ray bands. Here we discuss a spectacular example of this class, the 3C 111 jet, housed in one of the nearest, double-lobed FR II radio galaxies known. We discuss new, deep Chandra and Hubble Space Telescope ( HST ) observations that reveal both near-IR and X-ray emission from several components of the 3C 111 jet, as well as both the northern and southern hotspots. Important differences are seen between the morphologies in the radio, X-ray, and near-IR bands. The long (over 100 kpc on each side), straight nature of this jet makes it an excellent prototype for future, deep observations, as it is one of the longest such features seen in the radio, near-IR/optical, and X-ray bands. Several independent lines of evidence, including the X-ray and broadband spectral shape as well as the implied velocity of the approaching hotspot, lead us to strongly disfavor the EC/CMB model and instead favor a two-component synchrotron model to explain the observed X-ray emission for several jet components. Future observations with NuSTAR , HST , and Chandra will allow us to further constrain the emission mechanisms.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Measurements of extragalactic background light from the far UV to the far ir from deep ground- and space-based galaxy counts

We combine wide and deep galaxy number-count data from the Galaxy And Mass Assembly, COSMOS/G10, Hubble Space Telescope (HST) Early Release Science, HST UVUDF, and various near-, mid-, and far-IR data sets from ESO, Spitzer, and Herschel. The combined data range from the far UV (0.15 μm) to far-IR (500 μm), and in all cases the contribution to the integrated galaxy light (IGL) of successively fainter galaxies converges. Using a simple spline fit, we derive the IGL and the extrapolated IGL in all bands. We argue that undetected low-surface-brightness galaxies and intracluster/group light are modest, and that our extrapolated-IGL measurements are an accurate representation of the extragalactic background light (EBL). Our data agree with most earlier IGL estimates and with direct measurements in the far IR, but disagree strongly with direct estimates in the optical. Close agreement between our results and recent very high-energy experiments (H.E.S.S. and MAGIC) suggests that there may be an additional foreground affecting the direct estimates. The most likely culprit could be the adopted model of zodiacal light. Finally we use a modified version of the two-component model to integrate the EBL and obtain measurements of the cosmic optical background (COB) and cosmic infrared background of 24{sub −4}{sup +4} nW m{sup −2} sr{sup −1} and 26{sub −5}{sup +5} nW m{sup −2} sr{sup −1} respectively (48%:52%). Over the next decade, upcoming space missions such as Euclid and the Wide Field Infrared Space Telescope will have the capacity to reduce the COB error to <1%, at which point comparisons to the very high-energy data could have the potential to provide a direct detection and measurement of the reionization field.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

SPITZER IRAC OBSERVATIONS OF IR EXCESS IN HOLMBERG IX X-1: A CIRCUMBINARY DISK OR A VARIABLE JET?

We present Spitzer Infrared Array Camera photometric observations of the ultraluminous X-ray source (ULX, X-1) in Holmberg IX. We construct a spectral energy distribution (SED) for Holmberg IX X-1 based on published optical, UV, and X-ray data combined with the IR data from this analysis. We modeled the X-ray and optical data with disk and stellar models; however, we find a clear IR excess in the ULX SED that cannot be explained by fits or extrapolations of any of these models. Instead, further analysis suggests that the IR excess results from dust emission, possibly a circumbinary disk, or a variable jet.

79 ASTRONOMY AND ASTROPHYSICS↗