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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

High-pressure response of vibrational properties of b-As x P 1– x : in situ Raman studies

The structural evolution of black arsenic-phosphorous (b-As x P 1–x ) alloys with varying arsenic concentrations was investigated under hydrostatic pressure using in situ Raman spectroscopy. High-pressure experiments were conducted using a diamond anvil cell, which revealed pressure-induced shifts in vibrational modes associated with P–P bonds (A 1 g , A 2 g , ${B}_{2g}$), As–As bonds (A 1 g , A 2 g , ${{B}}_{2g}$), and As–P bonds in b-As x P 1–x alloys. Two distinct pressure regimes were observed. In the first regime (region I), all vibrational modes exhibited a monotonic upshift, indicating phonon hardening due to hydrostatic pressure. In the second regime (region II), As 0.4 P 0.6 and As 0.6 P 0.4 alloys displayed a linear blueshift (or negligible change in some modes) at a reduced rate, suggesting local structural reorganization with less compression on the bonds. Notably, the alloy with the highest As concentration, As 0.8 P 0.2 , exhibited anomalous behavior in the second pressure regime, with a downward shift observed in all As–As and As–P Raman modes (and some P–P modes). Interestingly, the emergence of new peaks corresponding to the E g mode and A 1g mode of the gray-As phase was observed in this pressure range, indicating compressive strain-induced structural changes. The anomalous change in region II confirms the formation of a new local structure, characterized by elongation of the P–P, As–As, and As–P bonds along the zigzag direction within the b-As x P 1–x phase, possibly near the grain boundary. Additionally, a gray-As phase undergoes compressive structural changes. This study underscores the significance of pressure in inducing structural transformations and exploring novel phases in two-dimensional materials, including b-As x P 1–x alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Spin and charge excitations in the correlated multiband metal Ca 3 Ru 2 O 7

We use Ru $L_3$-edge resonant inelastic x-ray scattering to study the full range of excitations in Ca 3 Ru 2 O 7 from meV-scale magnetic dynamics through to the eV-scale interband transitions. This bilayer 4d-electron correlated metal expresses a rich phase diagram, displaying long-range magnetic order below 56 K followed by a concomitant structural, magnetic, and electronic transition at 48 K. In the low-temperature phase, we observe a magnetic excitation with a bandwidth of ~30 meV and a gap of ~8 meV at the zone center, in excellent agreement with inelastic neutron scattering data. The dispersion can be modeled using a Heisenberg Hamiltonian for a bilayer S = 1 system with single-ion anisotropy terms. At a higher energy loss, dd-type excitations show heavy damping in the presence of itinerant electrons, giving rise to a fluorescencelike signal appearing between the $t_{2g}$ and $e_g$ bands. At the same time, we observe a resonance originating from localized $t_{2g}$ excitations, in analogy to the structurally related Mott insulator Ca 2 RuO 4 . But whereas Ca 2 RuO 4 shows sharp separate spin-orbit excitations and Hund’s-rule driven spin-state transitions, here we identify only a single broad asymmetric feature. These results indicate that local intraionic interactions underlie the correlated physics in Ca 3 Ru 2 O 7 , even as the excitations become strongly mixed in the presence of itinerant electrons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Revisiting superconductivity in the extended one-band Hubbard model: Pairing via spin and charge fluctuations

The leading superconducting instabilities of the two-dimensional extended repulsive one-band Hubbard model within spin-fluctuation pairing theory depend sensitively on electron density, band, and interaction parameters. We map out the phase diagrams within a random-phase-approximation spin- and charge-fluctuation approach, and find that while B 1g (d x 2 –y 2 ) and B 2g (d xy ) pairing dominates in the absence of repulsive longer-range Coulomb interactions V NN , the latter induces pairing in other symmetry channels, including, e.g., A 2g (g-wave), nodal A 1g (extended s-wave), or nodal E u (p-wave) spin-triplet superconductivity. At the lowest temperatures, transition boundaries in the phase diagrams between symmetry-distinct spin-singlet orders generate complex time-reversal symmetry broken superpositions. By contrast, we find that boundaries between singlet and triplet regions are characterized by first-order transitions. Finally, motivated by recent photoemission experiments, we have determined the influence of an additional explicitly attractive nearest-neighbor interaction, V NN < 0, on the superconducting gap structure. Furthermore, depending on the electronic filling, such an attraction boosts E u (p-wave) spin-triplet or B 1g (d x 2 –y 2 ) spin-singlet ordering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Strongly enhanced Rashba splittings in an oxide heterostructure: A tantalate monolayer on BaHfO 3

In the two-dimensional electron gas emerging at the transition metal oxide surface and interface, various exotic electronic ordering and topological phases can become experimentally more accessible with the stronger Rashba spin-orbit interaction. Here, we present a promising route to realize significant Rashba-type band splitting using a thin film heterostructure. Based on first-principles methods and analytic model analyses, a tantalate monolayer on BaHfO 3 is shown to host two-dimensional bands originating from Ta t 2g states with strong Rashba spin splittings, nearly 10% of the bandwidth, at both the band minima and saddle points. An important factor in this enhanced splitting is the significant t 2g –e g interband coupling, which can generically arise when the inversion symmetry is maximally broken due to the strong confinement of the 2DEG on a transition metal oxide surface. Here, our results could be useful in realizing topological superconductivity at oxide surfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Indication of subdominant d-wave interaction in superconducting CaKFe 4 As 4

We report inelastic light scattering results on the stoichiometric and fully ordered superconductor CaKFe 4 As 4 as a function of temperature and light polarization. In the energy range between 10 and 315 cm -1 (1.24 and 39.1 meV) we observe the particle-hole continuum above and below the superconducting transition temperature T c and seven of the eight Raman active phonons. The main focus is placed on the analysis of the electronic excitations. Below T c all three symmetries projected with in-plane polarizations display a redistribution of spectral weight characteristic for superconductivity. The energies of the pair-breaking peaks in A 1g and B 2g symmetry are in approximate agreement with the results from photoemission studies. In B 1g symmetry the difference between the normal and superconducting state is most pronounced, and the feature is shifted downwards with respect to those in A 1g and B 2g symmetry. The maximum peaking at 134 cm -1 (16.6 meV) has a substructure on the high-energy side. We interpret the peak at 134 cm -1 in terms of a collective Bardasis-Schrieffer (BS) mode and the substructure as a remainder of the pair-breaking feature on the electron bands. Finally, there is a very weak peak at 50 cm -1 (6.2 meV) which is tentatively assigned to another BS mode.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Block excitonic condensate at n = 3.5 in a spin-orbit coupled t 2 g multiorbital Hubbard model

Theoretical studies recently predicted the condensation of spin-orbit excitons at momentum $q={\pi}$ in ${t}_{2g}^{4}$ spin-orbit coupled three-orbital Hubbard models at electronic density $n=4$. In parallel, experiments involving iridates with noninteger valence states for the Ir ions are starting to attract considerable attention. Using the density matrix renormalization group technique we present evidence for the existence of an excitonic condensate at $n=3.5$ in a one-dimensional Hubbard model with a degenerate ${t}_{2g}$ sector, when in the presence of spin-orbit coupling. At intermediate Hubbard $U$ and spin-orbit ${\lambda}$ couplings, we found an excitonic condensate at the unexpected momentum $q={\pi}/2$ involving ${j}_{\mathrm{eff}}=3/2,m=\pm{}1/2$, and ${j}_{\mathrm{eff}}=1/2,m=\pm{}1/2$ bands in the triplet channel, coexisting with an also unexpected block magnetic order. We also present the entire ${\lambda}$ vs $U$ phase diagram, at a fixed and robust Hund coupling. Interestingly, this new “block excitonic phase” is present even at large values of ${\lambda}$, unlike the $n=4$ excitonic phase discussed before. Our computational study helps to understand and predict the possible magnetic phases of materials with ${d}^{3.5}$ valence and robust spin-orbit coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Coexistence of Ferromagnetic and Stripe Antiferromagnetic Spin Fluctuations in SrCo 2 As 2

We use inelastic neutron scattering to study energy and wave vector dependence of spin fluctuations in SrCo 2 As 2 , derived from SrFe 2-x Co x As 2 iron pnictide superconductors. Our data reveal the coexistence of antiferromagnetic (AF) and ferromagnetic (FM) spin fluctuations at wave vectors Q AF =(1,0) and Q FM =(0,0)/(2,0), respectively. By comparing neutron scattering results with those of dynamic mean field theory calculation and angle-resolved photoemission spectroscopy experiments, we conclude that both AF and FM spin fluctuations in SrCo 2 As 2 are closely associated with a flatband of the e g orbitals near the Fermi level, different from the t 2g orbitals in superconducting SrFe 2-x CoxAs 2 . Therefore, Co substitution in SrFe 2-x Co x As 2 induces a t 2g to e g orbital switching, and is responsible for FM spin fluctuations detrimental to the singlet pairing superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

On the Morphology and Optical Properties of Molybdenum Disulfide Nanostructures from a Monomolecular Layer to a Fractal-Like Substructure

The impact of layer thickness on the morphology and optical properties of MoS{sub 2} nanostructures, including monomolecular layers, formed by the carrier-gas-assisted transport of sulfur vapor to the hot zone of a reactor containing metallic molybdenum and subsequent deposition on mica (muscovite) substrates is investigated. Molybdenum disulfide nanostructures of different thicknesses grown at different temperatures of gas-transport synthesis are studied by atomic-force microscopy, optical absorption spectroscopy, and Raman spectroscopy. It is found that synthesis at temperatures of 525–600°C makes it possible to obtain monomolecular MoS{sub 2} layers containing trigonal domains and featuring direct-gap optical transitions at 1.84 eV with the formation of excitons at room temperature. Fractal-type MoS{sub 2} substructures are obtained for the first time. The frequencies of intralayer and interlayer vibrational modes E{sub 2g}{sup 1} and A{sub 1g}, respectively, in their Raman spectra (377.5 and 403.8 cm{sup –1}, respectively) differ both from the corresponding values for a monomolecular layer and the known frequencies for bulk samples. The frequency of the E{sub 2g}{sup 1} intralayer mode in these samples (377.5 cm{sup –1}) is the lowest of all previously reported.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Comparative X-Ray Absorption Analysis of the Spectrum of Vacant Electronic States in Cobalt and Nickel Tetraphenylporphyrin Complexes

The energy distributions and the properties of the lower vacant electronic states in cobalt and nickel tetraphenylporphyrin complexes CoTPP and NiTPP are studied by X-ray absorption spectroscopy. Quasimolecular analysis of the experimental absorption spectra measured in the region of the 2p and 1s ionization thresholds of complexing metal atoms, as well as the 1s thresholds of ligand atoms (nitrogen and carbon), is based on the comparison of the corresponding spectra with each other and with the spectra of the simplest nickel porphyrin NiP. It has been established that, despite a general similarity of the spectra of nitrogen and carbon in CoTPP and NiTPP, the fine structure of the 2p and 1s absorption spectra of cobalt and nickel atoms are radically different. The observed differences in the spectra of cobalt and nickel are associated with the features of the energy distribution of vacant 3d electron states. The presence in CoTPP of the partially filled valence 3db{sub 2g} molecular orbital (MO) results in the appearance in the cobalt spectra of a low-energy band, which is absent in the spectrum of nickel in NiTPP and leads to a doublet structure of transitions to b{sub 1g} and e{sub g} MOs due to the exchange interaction between 3d electrons in partially filled 3db{sub 2g} and 3db{sub 1g} or 3de{sub g} MOs. The spectrum of vacant states in CoTPP differs from that in NiTPP also due to the smaller energy distance between 3db{sub 1g} and e{sub g} MOs and the different positions of nonbonding MOs with the C2p character of the porphine ligand.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Experimental Study and Analysis of Absorption Spectra of Ni{sup 2+} Ions in Nickel Orthoborate Ni{sub 3}(BO{sub 3}){sub 2}

The results of studies of the absorption spectra of nickel orthoborate Ni{sub 3}(BO{sub 3}){sub 2} in the range of electronic d–d-transitions are reported. The obtained data are analyzed in the framework of the crystal field theory. The Ni{sup 2+} ions are located in two crystallographically nonequivalent positions 2a and 4f with point symmetry groups C{sub 2h} and C{sub 2}, respectively, surrounded by six oxygen ions forming deformed octahedra. The absorption spectra exhibit three intense bands corresponding to spin-resolved transitions from the ground state of nickel ion {sup 3}A{sub 2g} ({sup 3}F) to the sublevels of the {sup 3}T{sub 2g} ({sup 3}F), {sup 3}T{sub 1g} ({sup 3}F) and {sup 3}T{sub 1g} ({sup 3}P) triplets split by the spinorbit interaction and the rhombic component of the crystal field. At temperatures below 100 K, the spectra exhibit a thin structure, in which phonon-free lines can be distinguished. Comparison of the calculated frequencies of the zero-phonon transitions with the experimental data allows estimating parameters of the crystal field acting on the nickel ions in the 2a- and 4f-positions, as well as the parameters of electrostatic interaction between the 3d electrons and spin-orbit interaction constants.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Advantages of Superconducting Device using 26 MgB2 Wire

Superconducting undulator (SCU) which can run at higher temperature than 4 Kelvin range has been anticipated for a long time. However, the performance of high-temperature superconductor (HTS) tapes have not improved over the last decade as the industry mostly concentrates on the cost reduction. Magnesium Diboride (MgB2) has a critical temperature of 39 K and the 1 st generation (1G) wire has been in production but it was not sufficient to be used in SCU. Recently the 2 nd generation (2G) wire has been developed. It is estimated to give a similar performance as NbTi wire at 20K. In this paper the advantages of a SCU with 2G MgB2 wire compared to a conventional SCU with NbTi or Nb3Sn3 wire.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

The realm of the galactic globular clusters and the mass of their primordial clouds

By adopting the empirical constraints related to the estimates of helium enhancement (ΔY), the present mass ratio between first and second stellar generations (M{sub 1G}/M{sub 2G}), and the actual mass of Galactic globular clusters (M {sub GC}), we envisage a possible scenario for the formation of these stellar systems. Our approach allows for the possible loss of stars through evaporation or tidal interactions and different star-formation efficiencies. In our approach, the star-formation efficiency of the first generation (ϵ {sub 1G}) is the central factor that links the stellar generations because it not only defines both the mass in stars of the first generation and the remaining mass available for further star formation, but it also fixes the amount of matter required to contaminate the second stellar generation. In this way, ϵ {sub 1G} is fully defined by the He enhancement between successive generations in a GC. We also show that globular clusters fit well within a ΔY versus M{sub 1G}/M{sub 2G} diagram that indicates three different evolutionary paths. The central one is for clusters that have not lost stars through tidal interactions from either of their stellar generations, and thus their present M {sub GC} value is identical to the amount of low-mass stars (M {sub *} ≤ 1 M {sub ⊙}) that resulted from both stellar generations. Other possible evolutions imply either the loss of first-generation stars or the combination of a low star-formation efficiency in the second stellar generation and a loss of stars from the second generation. From these considerations, we derive a lower limit to the mass (M {sub tot}) of the individual primordial clouds that gave origin to globular clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

THE FORMATION OF SECONDARY STELLAR GENERATIONS IN MASSIVE YOUNG STAR CLUSTERS FROM RAPIDLY COOLING SHOCKED STELLAR WINDS

We study a model of rapidly cooling shocked stellar winds in young massive clusters and estimate the circumstances under which secondary star formation, out of the reinserted winds from a first stellar generation (1G), is possible. We have used two implementations of the model: a highly idealized, computationally inexpensive, spherically symmetric semi-analytic model, and a complex, three-dimensional radiation-hydrodynamic, simulation; they are in a good mutual agreement. The results confirm our previous findings that, in a cluster with 1G mass 10{sup 7} M {sub ⊙} and half-mass–radius 2.38 pc, the shocked stellar winds become thermally unstable, collapse into dense gaseous structures that partially accumulate inside the cluster, self-shield against ionizing stellar radiation, and form the second generation (2G) of stars. We have used the semi-analytic model to explore a subset of the parameter space covering a wide range of the observationally poorly constrained parameters: the heating efficiency, η {sub he}, and the mass loading, η {sub ml}. The results show that the fraction of the 1G stellar winds accumulating inside the cluster can be larger than 50% if η {sub he} ≲ 10%, which is suggested by the observations. Furthermore, for low η {sub he}, the model provides a self-consistent mechanism predicting 2G stars forming only in the central zones of the cluster. Finally, we have calculated the accumulated warm gas emission in the H30 α recombination line, analyzed its velocity profile, and estimated its intensity for super star clusters in interacting galaxies NGC4038/9 (Antennae) showing that the warm gas should be detectable with ALMA.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1977

Effect of altered gravity on temperature regulation in mammals: Investigation of gravity effect on temperature regulation in mammals

Male, Long-Evans hooded rats were instrumented for monitoring core and hypothalamic temperatures as well as shivering and nonshivering thermogenesis in response to decreased ambient temperature in order to characterize the nature of the neural controller of temperature in rats at 1G and evaluate chronic implantation techniques for the monitoring of appropriate parameters at hypergravic fields. The thermoregulatory responses of cold-exposed rats at 2G were compared to those at 1G. A computer model was developed to simulate the thermoregulatory system in the rat. Observations at 1 and 2G were extended to acceleration fields of 1.5, 3.0 and 4.0G and the computer model was modified for application to altered gravity conditions. Changes in the acceleration field resulted in inadequate heat generation rather than increased heat loss. Acceleration appears to impair the ability of the neurocontroller to appropriately integrate input signals for body temperature maintenance.

Horwitz, B. A.↗
NASA NTRS1982

Temperature and behavioral responses of squirrel monkeys to 2Gz acceleration

This study examines the responses of squirrel monkeys to acute +2Gz exposure. Body temperature responses of loosely restrained animals were recorded via a thermistor in the colon. Behavioral responses were recorded by video monitoring. After baseline recording at 1G, monkeys were exposed to 2G for 60 min. The body temperature started to fall within 10 min of the onset of centrifugation and declined an average of 1.4 C in 60 min. This is in contrast to a stable body temperature during the control period. Further, after a few minutes at 2G, the animals became drowsy and appeared to fall asleep. During the control period, however, they were alert and continually shifting their gaze about the cage. Thus, primates are susceptible to hypergravic fields in the +Gz orientation. The depression in primate body temperature was consistent and significant. Further, the observed drowsiness in this study has significant ramifications regarding alertness and performance in man.

Fuller, C. A.↗
NASA NTRS1991

Effects of gravity on the circadian period in rats

The effect of increased gravity force on the circadian period of body temperature and activity of rats was investigated using rats implanted with a small radio telemetry device and, after a 2-week recovery and a 3-week control period at 1G, rotated at for 4 weeks at a constant 2G field in a 18-ft-diam centrifuge. Measurements of the mean freerunning period of the temperature and activity rhythms after 10 days showed that the exposure to 2G led to a functional separation of the pacemakers that regulate the activity and the temperature in the animals. Each pacemaker reacted differently: the activity period increased and the temperature period decreased. By the third or the fourth week, the activity and the temperature periods have returned to 1G control levels.

Murakami, Dean M.↗
NASA NTRS1994

Effect of microgravity on crystallization of ZBLAN fibers

ZrF4-BaF2-LaF3-AIF3-NaF (ZBLAN) optical fiber was flown on board the NASA's KC-135 microgravity aircraft to determine the effects of microgravity on crystal growth in this material. Fiber samples were placed in evacuated quartz ampoules and heated to the crystallization temperature in 0g, 1g, and 2g. The 1g and 2g samples were observed to slump and crystallize. The 0g samples showed no evidence of crystallization.

Tucker, Dennis S.↗
NASA NTRS1994

Development of a Feeder for Uninterrupted Centrifugation Studies

A specialized paste diet feeder was developed in support of a hypergravity (2G) centrifuge study. The centrifuge study was to be compared to a previously flown Russian Cosmos spaceflight so experimental parameters of the 14 day spaceflight had to be duplicated. In order to duplicate at hyper G an experiment that took place in weightlessness, all other conditions must be as identical as possible. Stopping the centrifuge to provide maintenance for the animals causes unacceptable changes in experimental research results. Thus the experimental protocol required the delivery of a designated amount of paste diet at regular intervals for a two week period without stopping the centrifuge. A centrifuge and a stationary control cage, each containing 10 laboratory rats, were fitted with feeders that were calibrated to provide 140 plus or minus 2g of paste diet every 6 hours. This paper describes development of the feeder design and results of its operation over the two week experiment. The design philosophy and details of the feeder system are provided with recommendations for future such devices.

Mulenburg, Gerald M.↗