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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Potential Skyrmion Host Fe(IO3)3: Connecting Stereoactive Lone-Pair Electron Effects to the Dzyaloshinskii-Moriya Interaction

Magnetic skyrmions, which are topologically distinct magnetic spin textures, are gaining increased attention for their unique physical properties and potential applications in spintronic devices. Here we present a design strategy for skyrmion host candidates based on combinations of magnetic spin, asymmetric building units having stereoactive lone-pair electrons, and polar lattice symmetry. To demonstrate the viability of the proposed rational design principles, we successfully synthesized a Fe(IO 3 ) 3 polycrystalline sample and single crystals by using a new simplified low-temperature pathway, which is experimentally feasible for extending materials growth of transition metal iodates. Single crystal X-ray and powder synchrotron X-ray diffraction measurements demonstrated that Fe(IO 3 ) 3 crystallizes in the polar chiral hexagonal lattice with space group P63. The combined structural features of the macroscopic electric polarization along the c-axis stemming from the coalignment of the stereoactive lone-pairs of the IO 3 – trigonal pyramid and the magnetic Fe 3+ cation residing on the 3-fold rotation axis were selected to promote asymmetric exchange coupling. We find evidence of a predicted skyrmion phase at 14 K ≤ T ≤ 16 K and 2.5 T ≤ μ 0 H ≤ 3.2 T driven by a Dzyaloshinskii–Moriya (DM) interaction, a conclusion supported by the appreciable DM exchange and the zero-field spiral antiferromagnetic ground state of Fe(IO 3 ) 3 deduced from neutron diffraction experiments. The associated magnetic modulation wavelength of the putative skyrmions is expected to be short ~18 nm, comparable to the period of the DM-driven incommensurate order. This work links stereoactive lone-pair electron effects to enhanced DM interaction, demonstrating a new approach for chemical guidelines in the search for skyrmionic states of matter.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Ultralow Thermal Conductivity in Cs–Sb–Se Compounds: Lattice Instability versus Lone-Pair Electrons

Lone-pair electrons (LPE) are known to lead to large anharmonicity in materials and thus to low lattice thermal conductivity (k). Materials with LPE typically have lower k than those with similar compositions but without LPE. In this study, we investigate thermal transport properties in Cs-Sb-Se ternary compounds by first principles methods and show that LPE do not necessarily guarantee the lowest k.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2018

Crossover-Induced Spin Fluctuation and Electron Pairing in Strongly Correlated Electrons

We investigate the two-dimensional (2D) Hubbard model and d-p model as a model for cuprate high-temperature superconductors, by employing an optimized variational Monte Carlo method. We improved the many-body wave function starting from the simple Gutzwiller function. On the basis of optimized variational wave functions, we show that there is a superconducting phase in the ground state of the 2D Hubbard model. The on-site repulsive Coulomb interaction U can bring about high-temperature superconductivity because its characteristic energy is of the order of eV. The attractive interaction between electrons is induced by the crossover from weakly to strongly correlated regions. High-temperature superconductivity is possible in the strongly correlated region, where U is greater than the bandwidth.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Electron pairing and nematicity in LaAlO 3 /SrTiO 3 nanostructures

Strongly correlated electronic systems exhibit a wealth of unconventional behavior stemming from strong electron-electron interactions. The LaAlO 3 /SrTiO 3 (LAO/STO) heterostructure supports rich and varied low-temperature transport characteristics including low-density superconductivity, and electron pairing without superconductivity for which the microscopic origins is still not understood. LAO/STO also exhibits inexplicable signatures of electronic nematicity via nonlinear and anomalous Hall effects. Nanoscale control over the conductivity of the LAO/STO interface enables mesoscopic experiments that can probe these effects and address their microscopic origins. Here we report a direct correlation between electron pairing without superconductivity, anomalous Hall effect and electronic nematicity in quasi-1D ballistic nanoscale LAO/STO Hall crosses. The characteristic magnetic field at which the Hall coefficient changes directly coincides with the depairing of non-superconducting pairs showing a strong correlation between the two distinct phenomena. Angle-dependent Hall measurements further reveal an onset of electronic nematicity that again coincides with the electron pairing transition, unveiling a rotational symmetry breaking due to the transition from paired to unpaired phases at the interface. The results presented here highlights the influence of preformed electron pairs on the transport properties of LAO/STO and provide evidence of the elusive pairing “glue” that gives rise to electron pairing in SrTiO 3 -based systems.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Progress toward positron-electron pair plasma experiments

Electron-positron plasmas have been of theoretical interest for decades, due to the unique plasma physics that arises from all charged particles having precisely identical mass. It is only recently, though, that developments in non-neutral plasma physics (both in linear and toroidal geometries) and in the flux of sources for cold positrons have brought the goal of conducting electron-positron pair plasma experiments within reach. The APEX/PAX collaboration is working on a number of projects in parallel toward that goal; this paper provides an overview of recent, current, and upcoming activities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Real-Time Evolution of the Electron Clouds of Transition Metal Ions: Possible Electron-Pairing Medium in Unconventional High-Temperature Superconductors

The electron-pairing mechanism in unconventional high-temperature superconductors (HTS) has not been resolved. We proposed that the electron-pairing medium of unconventional HTS is the change of the electron clouds of transition metal ions, which is analogous to the lattice vibration in conventional superconductors. Real-time evolution of the electron clouds of transition metal ions under excitations in La{sub 2}Fe{sub 2}As{sub 2}O{sub 2}, FeSe sheet, and HgBa{sub 2}Ca{sub 2}Cu{sub 3}O{sub 8} was calculated by the time-dependent density functional theory (TDDFT). The characteristic frequencies are 160 meV, 190 meV, and 250 meV, respectively. The frequencies are close to that of the lattice vibration in conventional HTS at high pressures, showing that the change of the electron clouds of the transition metal ions can be the electron-pairing medium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Real-space imaging of the electron-pair density hole in molecular Auger–Meitner decay

Electrons in matter can rearrange extremely quickly under external perturbations, underpinning subsequent structural and chemical transformations. Coulomb interactions between neighbouring electrons often shape this response, giving rise to correlated motion and strongly affecting the distribution of electrons in the system. Here we show that non-resonant hard X-ray scattering can directly access changes in the radial electron-pair density during the rapid rearrangement of core and valence electrons. We do this by studying sulfur hexafluoride molecules undergoing Auger–Meitner decay. We exploit a second-order interaction between the X-ray photons and the molecules to trigger and probe the decay dynamics with a single pulse, capturing the electron loss and redistribution before the molecules dissociate. The experiment shows that changes in electron-pair densities can be isolated and measured on ultrafast timescales, providing insight into the real-space evolution of highly excited and short-lived electronic states.

Simmermacher, Mats [University of Oxford (United K↗
NASA NTRS1989

New calculations and measurements of the Coulomb cross-section for the production of direct electron pairs by high energy nuclei

Recently, new calculations were made of the direct Coulomb pair cross section that rely less in arbitrary parameters. More accurate calculations of the cross section down to low pair energies were made. New measurements of the total direct electron pair yield, and the energy and angular distribution of the electron pairs in emulsion were made for O-16 at 60 and 200 GeV/amu at S-32 at 200 GeV/amu which give satisfactory agreement with the new calculations. These calculations and measurements are presented along with previous accelerator measurements made of this effect during the last 40 years. The microscope scanning criteria used to identify the direct electron pairs is described. Prospects for application of the pair method to cosmic ray energy measurements in the region 10 (exp 13) to 10 (exp 15) eV/amu are discussed.

Derrickson, J. H.↗
NASA NTRS1988

Measurements and calculations of the Coulomb cross section for the production of direct electron pairs by energetic heavy nuclei in nuclear track emulsion

Measurements and theoretical predictions of the Coulomb cross section for the production of direct electron pairs by heavy ions in emulsion have been performed. Nuclear track emulsions were exposed to the 1.8 GeV/amu Fe-56 beam at the Lawrence Berkeley Laboratory bevalac and to the 60 and 200 GeV/amu O-16 and the 200 GeV/amu S-32 beam at the European Center for Nuclear Research Super Proton Synchrotron modified to accelerate heavy ions. The calculations combine the Weizsacker-Williams virtual quanta method applicable to the low-energy transfers and the Kelner-Kotov relativistic treatment for the high-energy transfers. Comparison of the measured total electron pair yield, the energy transfer distribution, and the emission angle distribution with theoretical predictions revealed a discrepancy in the frequency of occurrence of the low-energy pairs (less than or = 10 MeV). The microscope scanning criteria used to identify the direct electron pairs is described and efforts to improve the calculation of the cross section for pair production are also discussed.

Derrickson, J. H.↗
DOE OSTI2023

Breaking electron pairs in the pseudogap regime of SmTiO 3 − SrTiO 3 − SmTiO 3 quantum wells

The strongly correlated two-dimensional electron liquid within SmTiO 3 /SrTiO 3 /SmTiO 3 quantum well structures exhibits a pseudogap phase when the quantum well width is sufficiently narrow. Using low-temperature transport and optical experiments that drive the quantum-well system out of equilibrium, we find evidence of mobile, long-lived, negatively charged quasiparticles, consistent with the idea that the pseudogap phase arises from strongly bound electron pairs. As a result, these experimental results establish a connection between quantum confinement and enhanced electron pairing, which may provide a pathway to higher-temperature superconductors.

Correlated electronics↗
DOE OSTI2024

Suppressed Lone Pair Electrons Explain Unconventional Rise of Lattice Thermal Conductivity in Defective Crystalline Solids

Manipulating thermal properties of materials can be interpreted as the control of how vibrations of atoms (known as phonons) scatter in a crystal lattice. Compared to a perfect crystal, crystalline solids with defects are expected to have shorter phonon mean free paths caused by point defect scattering, leading to lower lattice thermal conductivities than those without defects. While this is true in many cases, alloying can increase the phonon mean free path in the Cd-doped AgSnSbSe 3 system to increase the lattice thermal conductivity from 0.65 to 1.05 W m –1 K –1 by replacing 18% of the Sb sites with Cd. It is found that the presence of lone pair electrons leads to the off-centering of cations from the centrosymmetric position of a cubic lattice. X-ray pair distribution function analysis reveals that this structural distortion is relieved when the electronic configuration of the dopant element cannot produce lone pair electrons. Furthermore, a decrease in the Grüneisen parameter with doping is experimentally confirmed, establishing a relationship between the stereochemical activity of lone pair electrons and the lattice anharmonicity. The observed “harmonic” behavior with doping suggests that lone pair electrons must be preserved to effectively suppress phonon transport in these systems.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Direct electron-pair production by high energy heavy charged particles

Direct electron pain production via virtual photons by moving charged particles is a unique electro-magnetic process having a substantial dependence on energy. Most electro-magnetic processes, including transition radiation, cease to be sensitive to the incident energy above 10 TeV/AMU. Thus, it is expected, that upon establishment of cross section and detection efficiency of this process, it may provide a new energy measuring technique above 10 TeV/AMU. Three accelerator exposures of emulsion chambers designed for measurements of direct electron-pains were performed. The objectives of the investigation were to provide the fundamental cross-section data in emulsion stacks to find the best-fit theoretical model, and to provide a calibration of measurements of direct electron-pairs in emulsion chamber configurations. This paper reports the design of the emulsion chambers, accelerator experiments, microscope measurements, and related considerations for future improvements of the measurements, and for possible applications to high energy cosmic ray experiments. Also discussed are the results from scanning 56m of emulsion tracks at 1200x magnification so that scanning efficiency is optimized. Measurements of the delta-ray range spectrum were also performed for much shorter track lengths, but with sufficiently large statistics in the number of measured delta-rays.

Takahashi, Y.↗
NASA NTRS1983

Positron-electron pairs in astrophysics; Proceedings of the Workshop, Greenbelt, MD, January 6-8, 1983

Astrophysical sources of positron-electron-pair annihilation radiation are characterized in reviews and reports of observational and theoretical investigations. Topics examined include gamma-ray lines from solar flares, gamma-ray bursts, pulsars, the Galactic center, active galaxies, and physical processes in relativistic and magnetized plasmas. Spectra, historgrams, graphs, and diagrams are provided.

Burns, M. L.↗