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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Ternary chalcogenides C s 2 Z n 3 S e 4 and C s 2 Z n 3 T e 4 : Potential p -type transparent conducting materials

Here we report prediction of two new ternary chalcogenides that can potentially be used as p-type transparent conductors along with experimental synthesis and initial characterization of these previously unknown compounds, Cs 2 Zn 3 Ch 4 (Ch = Se, Te). In particular, the structures are predicted based on density functional calculations and confirmed by experiments. Phase diagrams, electronic structure, optical properties, and defect properties of Cs 2 Zn 3 Se 4 and Cs 2 Zn 3 Te 4 are calculated to assess the viability of these materials as p-type TCMs. Cs 2 Zn 3 Se 4 and Cs 2 Zn 3 Te 4 , which are stable under ambient air, display large optical band gaps (calculated to be 3.61 and 2.83 eV, respectively) and have small hole effective masses (0.5-0.77 m e ) that compare favorably with other proposed p-type TCMs. Defect calculations show that undoped Cs2Zn3Se4 and Cs2Zn3Te4 are p-type materials. However, the free hole concentration may be limited by low-energy native donor defects, e.g., Zn interstitials. Lastly, non-equilibrium growth techniques should be useful for suppressing the formation of native donor defects, thereby increasing the hole concentration.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Comparison of the high-pressure behavior of the cerium oxides C e 2 O 3 and Ce O 2

We studied the high-pressure behavior of Ce 2 O 3 using angle-dispersive x-ray diffraction to 70 GPa and compared with that of CeO 2 . Up to the highest pressure Ce 2 O 3 remains in the hexagonal phase (space group 164, P ¯32/m1) typical for the lanthanide sesquioxides. We did not observe a theoretically predicted phase instability for 30 GPa. The isothermal bulk modulus and its pressure derivative for the quasihydrostatic case are B 0 = 111 ± 2 GPa, B' 0 = 4.7 ± 0.3, and for the case without pressure-transmitting medium B 0 = 104 ±4 GPa, B' 0 = 6.5 ± 0.4. Starting from ambient-pressure magnetic susceptibility measurements for both oxides in highly purified form,we find that the Ce atom in Ce 2 O 3 behaves like a trivalent Ce 3+ ion (2.57μB per Ce atom) in contrast to previously published data. Since x-ray emission spectroscopy of the Lγ (4d 3/2 → 2p 1/2 ) transition is sensitive to the 4f -electron occupancy, we also followed the high-pressure dependence of this line for both oxides up to 50 GPa. We observed no change of the respective line shape, indicating that the 4f -electron configuration is stable for both materials. We posit from this data that the 4f electrons do not drive the volume collapse of CeO 2 from the high-symmetry, low-pressure fluorite structure to the lower-symmetry orthorhombic phase.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Pair-density waves, charge-density waves, and vortices in high- T c cuprates

A recent scanning tunneling microscopy (STM) experiment reports the observation of a charge-density wave (CDW) with a period of approximately 8a in the halo region surrounding the vortex core, in striking contrast to the approximately 4a period CDWs that are commonly observed in the cuprates. Inspired by this work, we study a model where a bidirectional pair-density wave (PDW) with period 8 is at play. This further divides into two classes: (1) where the PDW is a competing state of the d-wave superconductor and can exist only near the vortex core where the d-wave order is suppressed and (2) where the PDW is the primary order, the so-called “mother state” that persists with strong phase fluctuations to high temperature and high magnetic field and lies behind the pseudogap phenomenology. We study the charge-density wave structures near the vortex core in these models. We emphasize the importance of the phase winding of the d-wave order parameter. The PDW can be pinned by the vortex core due to this winding and become static. Furthermore, the period-8 CDW inherits the properties of this winding, which gives rise to a special feature of the Fourier transform peak, namely, it is split in certain directions. There is also a line of zeros in the inverse Fourier transform of filtered data. We propose that these are key experimental signatures that can distinguish between the PDW-driven scenario from the more mundane option that the period-8 CDW is primary. We discuss the pro's and con's of the options considered above. Lastly, we attempt to place the STM experiment in the broader context of pseudogap physics of underdoped cuprates and relate this observation to the unusual properties of x-ray scattering data on CDW carried out to very high magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Pressure-induced modifications of the magnetic order in the spin-chain compound C a 3 C o 2 O 6

The structural and magnetic properties of the Ca 3 Co 2 O 6 spin-chain compound have been studied by means of neutron and x-ray powder diffraction at pressures up to 6.8 and 32 GPa, respectively. A suppression of the initial spin-density wave state (T N = 25 K) and stabilization of the collinear commensurate antiferromagnetic (AFM) state at high pressures (T NC = 26 K at P = 2.1 GPa) were observed. The pressure behavior of the competing intra- and interchain magnetic interactions was analyzed on the basis of obtained structural data and their role in the formation of the magnetic phase diagram is discussed. Here, the pressure behavior of the Néel temperature of the commensurate AFM phase was evaluated within the mean field theory approach and a good agreement with the experimental value dT NC /dP = 0.65 K/GPa was obtained.

1-dimensional spin chains↗
DOE OSTI2023

α -cluster microscopic study of C 12 + C 12 fusion toward the zero energy limit

The carbon burning process is a fundamental step of stellar evolution and governs the synthesis of chemical elements important for the formation of life. In this work, we utilize the microscopic hybrid α cluster (HαC) model and an analytical approach, both in the framework of the Imaginary Time Method (ITM), to study the carbon fusion reaction towards zero energy. We obtain the values of the cross sections, astrophysical factors and correlate our results to collective motion. We also include a calculation for the 2 + carbon fusion and discuss a possible experimental investigation. Our results confirm direct experimental and theoretical results close to the barrier, while suggest possible 2 + mixtures in the indirect experimental data. Furthermore, our study offers an accurate view of the burning process in the somewhat unexplored low energy region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Astrophysical factors of C 12 + C 12 fusion extracted using the Trojan horse method

Carbon-carbon burning plays an important role in many stellar environments. Recently, Tumino et al. reported a sharp rise of the astrophysical S factor for carbon-carbon fusion determined using the indirect Trojan horse method. We demonstrate that the rise at low energies seen in the aforementioned work is an artifact of using an invalid plane-wave approximation that neglects the Coulomb interactions between charged particles. Our analysis shows that such a rise disappears if the Coulomb (or Coulomb-nuclear) interactions in the initial and final states are included.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Measurement of B$_\mathrm{c}$(2S)$^+$ and B$_\mathrm{c}^*$(2S)$^+$ cross section ratios in proton-proton collisions at $\sqrt{s} =$ 13 TeV

The ratios of the Bc(2S)+ to Bc+, Bc*(2S)+ to Bc+, and Bc*(2S)+ to Bc(2S)+ production cross sections are measured in proton-proton collisions at s=13 TeV, using a data sample collected by the CMS experiment at the LHC, corresponding to an integrated luminosity of 143 fb-1. The three measurements are made in the Bc+ meson phase space region defined by the transverse momentum pT>15 GeV and absolute rapidity |y|<2.4, with the excited Bc(*)(2S)+ states reconstructed through the Bc(*)+π+π−, followed by the Bc+→J/ψπ+ and J/ψ→μ+μ− decays. The Bc(2S)+ to Bc+, Bc*(2S)+ to Bc+, and Bc*(2S)+ to Bc(2S)+ cross section ratios, including the unknown Bc(*)(2S)+→Bc(*)+π+π− branching fractions, are (3.47±0.63(stat)±0.33(syst))%, (4.69±0.71(stat)±0.56(syst))%, and 1.35±0.32(stat)±0.09(syst), respectively. None of these ratios shows a significant dependence on the pT or |y| of the Bc+ meson. The normalized dipion invariant mass distributions from the decays Bc(*)(2S)+→Bc(*)+π+π− are also reported.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗