Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Fermi surface”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Chemical Modification of Graphene Oxide by Nitrogenation: An X-ray Absorption and Emission Spectroscopy Study

Nitrogen-doped graphene oxides (GO:N x ) were synthesized by a partial reduction of graphene oxide (GO) using urea [CO(NH 2 ) 2 ]. Their electronic/bonding structures were investigated using X-ray absorption near-edge structure (XANES), valence-band photoemission spectroscopy (VB-PES), X-ray emission spectroscopy (XES) and resonant inelastic X-ray scattering (RIXS). During GO:N x synthesis, different nitrogen-bonding species, such as pyrrolic/graphitic-nitrogen, were formed by replacing of oxygen-containing functional groups. At lower N-content (2.7 at%), pyrrolic-N, owing to surface and subsurface diffusion of C, N and NH is deduced from various X-ray spectroscopies. In contrast, at higher N-content (5.0 at%) graphitic nitrogen was formed in which each N-atom trigonally bonds to three distinct sp 2 -hybridized carbons with substitution of the N-atoms for C atoms in the graphite layer. Upon nitrogen substitution, the total density of state close to Fermi level is increased to raise the valence-band maximum, as revealed by VB-PES spectra, indicating an electron donation from nitrogen, molecular bonding C/N/O coordination or/and lattice structure reorganization in GO:N x . The well-ordered chemical environments induced by nitrogen dopant are revealed by XANES and RIXS measurements.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Geometry and Unoccupied Electronic States of Ba and BaO on W(001)

A study aimed at understanding the geometrical and electronic properties of barium and oxygen coadsorbed on the tungsten(001) surface has been carried out by means of work-function measurements (Delta-phi), Auger-electron spectroscopy, low-energy electron diffraction, inverse photoelectron spectroscopy, and relativistic-electronic-structure calculations. A report of the experimental measurements and a comparison with theoretical results from embedded-cluster-model calculations are presented. Our experimental studies show that the work function of the W(001) surface (phi = 4.63 eV) is lowered to approximately 2.3-2.4 eV by coadsorption of 1 ML of Ba and O regardless of the order of deposition of these two species. The technique of IPS in the isochromat mode was used to determine the unoccupied electronic-energy band structure for ordered c (2 X 2) Ba and O layers on W(001). Several spectral features are observed above the Fermi level (E(F)), which we assign to transitions into Ba and W d-states. The measured two-dimensional electronic band structure is independent of the order of Ba and O deposition. Using embedded-cluster-model calculations, we investigated two possible adsorption configurations of an ordered c(2 X 2) adlayer of Ba and O on W(001): 'tilted,' where Ba and O are placed on alternate fourfold-hollow sites, and 'upright,' where the adsorbed atoms lay above the same site with Ba outer-most. The calculated densities of states for the tilted geometry show distinct peaks above E(F) originating from Ba and W d-orbitals and are in good agreement with the experimental results.

Lamouri, A.↗
DOE OSTI2015

First neutrino interactions observed with the MicroBooNE Liquid-Argon TPC detector

The MicroBooNE liquid-argon TPC detector started to take its first neutrino data from the Booster Neutrino Beam at the Fermi National Accelerator Laboratory on October 17, 2015. We have performed fullyautomated 3D reconstruction on these first data events using algorithms we have developed for the LArSoft software package, and we have developed a filter to distinguish neutrino interaction candidate events from the large number of events that contain activity originating mostly from cosmic rays. This is the first-time events from a large liquid argon TPC operating on/near the surface have been automatically reconstructed and selected for analysis. We describe the reconstruction and automated filtering procedure, and show displays of some of the first neutrino interactions observed with the detector using 1.86 × 10 18 protons on target.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1985

Generalized reciprocity theorem for semiconductor devices

A reciprocity theorem is presented that relates the short-circuit current of a device, induced by a carrier generation source, to the minority-carrier Fermi level in the dark. The basic relation is general under low injection. It holds for three-dimensional devices with position dependent parameters (energy gap, electron affinity, mobility, etc.), and for transient or steady-state conditions. This theorem allows calculation of the internal quantum efficiency of a solar cell by using the analysis of the device in the dark. Other applications could involve measurements of various device parameters, interfacial surface recombination velocity at a polcrystalline silicon emitter contact, for rexample, by using steady-state or transient photon or mass-particle radiation.

Misiakos, K.↗
DOE OSTI2016

Operando Analyses of Solar Fuels Light Absorbers and Catalysts

Operando synchrotron radiation photoelectron spectroscopy in the tender X-ray energy range has been used to obtain information on the energy-band relations of semiconductor and metal-covered semiconductor surfaces while in direct contact with aqueous electrolytes under potentiostatic control. The system that was investigated consists of highly doped Si substrates that were conformally coated with ~70 nm titania films produced by atomic-layer deposition. TiO 2 /electrolyte and Si/TiO 2 /Ni/electrolyte interfaces were then analyzed by synchrotron radiation photoelectron spectroscopy. The PES data allows for determination of the flat-band position and identification of potential regions in which Fermi level pinning, depletion, or accumulation occurred. Operando X-ray absorption spectroscopy (XAS) techniques were additionally used to investigate the properties of heterogeneous electrocatalysts for the oxygen-evolution reaction. Operando XAS including the pre-edge, edge and EXAFS regions allowed the development of a detailed picture of the catalysts under operating conditions, and elucidated the changes in the physical and electronic structure of the catalyst that accompanied increases in the applied potential. Specifically, XAS data, combined with DFT studies, indicated that the activity of the electrocatalyst correlated with the formation of Fe dopant sites in γ-NiOOH.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Photoelectric sheath formation around small spherical objects in space

The formation of a photoelectron sheath around positively charged small (∼cm) spherical objects roaming in near earth space due to the solar radiation (with continuous spectrum) and the solar wind plasma has been investigated. The sheath structure has been derived, taking into account anisotropic photoelectron flux with the Poisson equation, spherical geometry of the object, and half Fermi Dirac distribution of photoelectron velocities. Two cases, viz., when the object is illuminated by (i) isotropic or (ii) unidirectional (parallel beam) radiation, have been analyzed. The analysis predicts a spherically symmetric sheath in case of isotropic illumination, while a symmetry in sheath about a θ=π/4 is seen in case of parallel beam illumination; θ is the angle of incidence which is the angle made by the normal to a surface element with the direction of incidence of solar radiation. The radial and angular profiles of the electric potential and electron density in the photoelectron sheath have been evaluated and illustrated graphically; the dependence of the sheath structure on the solar wind plasma parameters, material properties of the spherical object, and its size have been discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

IDENTIFICATION OF THE OPTICAL COUNTERPART OF FERMI BLACK WIDOW MILLISECOND PULSAR PSR J1544+4937

We report the optical identification of the companion to the Fermi black widow millisecond pulsar PSR J1544+4937. We find a highly variable source on Keck Low Resolution Imaging Spectrometer images at the nominal pulsar position, with 2 mag variations over orbital period in the B, g, R, and I bands. The nearly achromatic light curves are difficult to explain with a simply irradiated hemisphere model, and suggest that the optical emission is dominated by a nearly isothermal hot patch on the surface of the companion facing the pulsar. We roughly constrain the distance to PSR J1544+4937 to be between 2 and 5 kpc. A more reliable distance measurement is needed in order to constrain the composition of the companion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Fano interference and a slight fluctuation of the Majorana hallmark

According to the Liu and Baranger [Phys. Rev. B 84, 201308(R) (2011)], an isolated Majorana state bound to one edge of a long enough Kitaev chain in the topological phase and connected to a quantum dot, results in a robust transmittance of 1/2 at zero-bias. In this work, we show that the removal of such a hallmark can be achieved by using a metallic surface hosting two adatoms in a scenario where there is a lack of symmetry in the Fano effect, which is feasible by coupling the Kitaev chain to one of these adatoms. Thus in order to detect this feature experimentally, one should apply the following two-stage procedure: (i) first, attached to the adatoms, one has to lock AFM tips in opposite gate voltages (symmetric detuning of the levels Δε) and measure by an STM tip, the zero-bias conductance; (ii) thereafter, the measurement of the conductance is repeated with the gates swapped. For |Δε| away from the Fermi energy and in the case of strong coupling tip-host, this approach reveals in the transmittance, a persistent dip placed at zero-bias and immune to the aforementioned permutation, but characterized by an amplitude that fluctuates slightly around 1/2. However, in the case of a tip acting as a probe, the adatom decoupled from the Kitaev chain becomes completely inert and no fluctuation is observed. Therefore, the STM tip must be considered in the same footing as the “host+adatoms” system. As a result, we have found that despite the small difference between these two Majorana dips, the zero-bias transmittance as a function of the symmetric detuning yields two distinct behaviors, in which one of them is unpredictable by the standard Fano's theory. Therefore, to access such a non trivial pattern of Fano interference, the hypothesis of the STM tip acting as a probe should be discarded.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

An epitaxial surface heterostructure anchoring approach for high-performance Ni-rich layered cathodes

Nickel-rich (Ni≥90%) layered oxides materials have emerged as a promising candidate for next-generation high-energy-density lithium-ion batteries (LIBs). However, their widespread application is hindered by structural fatigue and lattice oxygen loss. In this work, an epitaxial surface rock-salt nanolayer is successfully developed on the LiNi 0.9 Co 0.1 O 2 sub-surface via heteroatom anchoring utilizing high-valence element molybdenum modification. This in-situ formed conformal buffer phase with a thickness of 1.2nm effectively suppresses the continuous interphase side-reactions, and thus maintains the excellent structure integrity at high voltage. Furthermore, theoretical calculations indicate that the lattice oxygen reversibility in the anion framework of the optimized sample is obviously enhanced due to the higher content of O 2p states near the Fermi level than that of the pristine one. Meanwhile, the stronger Mo–O bond further reduces cell volume alteration, which improves the bulk structure stability of modified materials. Besides, the detailed charge compensation mechanism suggests that the average oxidation state of Ni is reduced, which induces more active Li + participating in the redox reactions, boosting the cell energy density. As a result, the uniquely designed cathode materials exhibit an extraordinary discharge capacity of 245.4 mAh g −1 at 0.1 C, remarkable rate performance of 169.3 mAh g −1 at 10 C at 4.5V, and a high capacity retention of 70.5% after 1000 cycles in full cells at a high cut-off voltage of 4.4V. Further, this strategy provides an valuable insight into constructing distinctive heterostructure on high-performance Ni-rich layered cathodes for LIBs.

25 ENERGY STORAGE↗
DOE OSTI2015

Comparison of trap characteristics between AlGaN/GaN and AlGaN/InGaN/GaN heterostructure by frequency dependent conductance measurement

Frequency dependent conductance measurement is carried out to observe the trapping effect in AlGaN/InGaN/GaN double heterostructure and compared that with conventional AlGaN/GaN single heterostructure. It is found that the AlGaN/InGaN/GaN diode structure does not show any trapping effect, whereas single heterostructure AlGaN/GaN diode suffers from two kinds of trap energy states in near depletion to higher negative voltage bias region. This conductance behaviour of AlGaN/InGaN/GaN heterostructure is owing to more Fermi energy level shift from trap energy states at AlGaN/InGaN junction compare to single AlGaN/GaN heterostructure and eliminates the trapping effects. Analysis yielded interface trap energy state in AlGaN/GaN is to be with time constant of (33.8–76.5) μs and trap density of (2.38–0.656) × 10{sup 12 }eV{sup −1} cm{sup −2} in −3.2 to −4.8 V bias region, whereas for AlGaN/InGaN/GaN structure no interface energy states are found and the extracted surface trap energy concentrations and time constants are (5.87–4.39) ×10{sup 10} eV{sup −1} cm{sup −2} and (17.8–11.3) μs, respectively, in bias range of −0.8–0.0 V.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Measurement of spin-flip probabilities for ultracold neutrons interacting with nickel phosphorus coated surfaces

In this paper, we report a measurement of the spin-flip probabilities for ultracold neutrons interacting with surfaces coated with nickel phosphorus. For 50 μm thick nickel phosphorus coated on stainless steel, the spin-flip probability per bounce was found to be β NiP on SS = (3.3 +1.8, -5.6) X 10 -6 . For 50 μm thick nickel phosphorus coated on aluminum, the spin-flip probability per bounce was found to be β NiP on Al = (3.6 +2.1, -5.9) X 10 -6 . For the copper guide used as reference, the spin flip probability per bounce was found to be β Cu = (6.7 + 5.0, -2.5) X 10 -6 . The results on the nickel phosphorus-coated surfaces may be interpreted as upper limits, yielding β NiP on SS < 6.2 X 10 -6 (90% C.L.) and β NiP on Al < 7.0 X 10 -6 (90% C.L.) for 50 μm thick nickel phosphorus coated on stainless steel and 50 μm thick nickel phosphorus coated on aluminum, respectively. Finally, nickel phosphorus coated stainless steel or aluminum provides a solution when low-cost, mechanically robust, and non-depolarizing UCN guides with a high Fermi potential are needed.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Lower hybrid wavepacket stochasticity revisited

Analysis is presented in support of the explanation in Ref. [1] for the observation of relativistic electrons during Lower Hybrid (LH) operation in EC pre-heated plasma at the WEGA stellarator [1,2]. LH power from the WEGA TE11 circular waveguide, 9 cm diameter, un-phased, 2.45 GHz antenna, is radiated into a B≅0.5 T, Ðœ„n{sub e}≅5×10{sup 17} 1/m{sup 3} plasma at T{sub e}≅10 eV bulk temperature with an EC generated 50 keV component [1]. The fast electrons cycle around flux or drift surfaces with few collisions, sufficient for randomizing phases but insufficient for slowing fast electrons down, and thus repeatedly interact with the rf field close to the antenna mouth, gaining energy in the process. Our antenna calculations reveal a standing electric field pattern at the antenna mouth, with which we formulate the electron dynamics via a relativistic Hamiltonian. A simple approximation of the equations of motion leads to a relativistic generalization of the area-preserving Fermi-Ulam (F-U) map [3], allowing phase-space global stochasticity analysis. At typical WEGA plasma and antenna conditions, the F-U map predicts an LH driven current of about 230 A, at about 225 W of dissipated power, in good agreement with the measurements and analysis reported in [1].

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Enabling direct silicene integration in electronics: First principles study of silicene on NiSi 2 (111)

Silicene on metal silicides poses promise for direct integration of silicene into electronic devices. The details of the metal silicide-silicene interface, however, may have significant effects on the electronic properties. In this work, the electronic properties of silicene on NiSi 2 (111) and hydrogenated NiSi 2 (111) (H:NiSi 2 ) substrates, as well as hydrogenated silicene (H:silicene) on a NiSi 2 (111) substrate, were simulated using first principles methods. The preferred Si surface termination of NiSi 2 was determined through surface energy calculations, and the band structure and density of states (DOS) were calculated for the two-dimensional silicene and H:silicene layers. Hydrogenating NiSi 2 lowered the binding energy between silicene and the substrate and resulting in partial decoupling of the electronic properties. Relaxed silicene on H:NiSi 2 showed a small band gap opening of 0.14 eV. Silicene on H:NiSi 2 also had a calculated electron effective mass of 0.08m 0 and Fermi velocity of 0.39×10 6 m/s, which are similar to the values for freestanding silicene. H:silicene on NiSi 2 retained its band structure and DOS compared to freestanding H:silicene. The band gap of H:silciene on NiSi 2 was 1.97 eV and is similar to freestanding H:silicene band gap of 2 eV. As a result, this research showed that hydrogenation may be a viable method for decoupling a silicene layer from a NiSi 2 (111) substrate to tune its electronic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2016

OBSERVATION AND SIMULATION OF THE VARIABLE GAMMA-RAY EMISSION FROM PSR J2021+4026

Pulsars are rapidly spinning and highly magnetized neutron stars, with highly stable rotational periods and a gradual spin-down over a long timescale due to the loss of radiation. Glitches refer to events that suddenly increase the rotational speed of a pulsar. The exact causes of glitches and the resulting processes are not fully understood. It is generally believed that couplings between the normal matter and superfluid components, and starquakes, are the common causes of glitches. In this study, one famous glitching pulsar, PSR J2021+4026, is investigated. PSR J2021+4026 is the first variable gamma-ray pulsar observed by Fermi . From gamma-ray observations, it is found that the pulsar experienced a significant flux drop, an increase in the spin-down rate, a change in the pulse profile and a shift in the spectral cut-off to a lower energy, simultaneously around 2011 October 16. To explain these effects on high-energy emissions by the glitch of PSR J2021+4026, we hypothesized the glitch to be caused by the rearrangement of the surface magnetic field due to crustal plate tectonic activities on the pulsar, which was triggered by a starquake. In this glitch event, the inclination angle of the magnetic dipole axis was slightly shifted. This proposition is then tested by numerical modeling using a three-dimensional two-layer outer gap model. The simulation results indicate that a modification of the inclination angle can affect the pulse profile and the spectral properties, which can explain the observation changes after the glitch.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Magnetar Central Engine and Possible Gravitational Wave Emission of Nearby Short GRB 160821B

GRB 160821B is a short gamma-ray burst (SGRB) at redshift z = 0.16, with a duration less than 1 s and without any “extended emission” detected up to more than 100 s in both Swift /BAT and Fermi /GBM bands. An X-ray plateau with a sharp drop 180 s after the BAT trigger was observed with Swift /XRT. No supernova or kilo-nova signature was detected. Assuming the central engine of this SGRB is a recently born supra-massive magnetar, we can explain the SGRB as jet radiation and its X-ray plateau as the internal energy dissipation of the pulsar wind as it spins down. We constrain its surface magnetic field to B {sub p} < 3.12 × 10{sup 16} G and initial spin period to P{sub 0} < 8.5 × 10{sup −3} s. Its equation of state is consistent with the GM1 model with M{sub TOV} ∼ 2.37 M {sub ⊙} and ellipticity ϵ < 0.07. Its gravitational wave (GW) radiation may be detectable with the future Einstein Telescope, but is much weaker than the current detectability limit of Advanced LIGO. The GW radiation of such an event would be detectable by Advanced LIGO if it occurred at a distance of 100 Mpc ( z = 0.023).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

IceCube Constraints on the Fermi Bubbles

We analyze the IceCube four-year neutrino data in search of a signal from the Fermi bubbles. No signal is found from the bubbles or from their dense shell, even when taking into account the softer background. This imposes a conservative ξ {sub i} < 8% upper limit on the cosmic-ray ion (CRI) acceleration efficiency, and an η ≡ ξ {sub e} / ξ {sub i} ≳ 0.006 lower limit on the electron-to-ion ratio of acceleration efficiencies (at the 2 σ confidence level). For typical ξ {sub i} , a signal should surface once the number of IceCube neutrinos increases by ∼an order of magnitude, unless there is a <PeV cutoff on the CRI spectrum.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Low barrier height in a ZnO nanorods/NbSe 2 heterostructure prepared by van der Waals epitaxy

Two-dimensional (2D) materials as contacts for semiconductor devices have attracted much attention due to minimizing Fermi level pinning. Schottky–Mott physics has been widely employed to design 2D material-based electrodes and to elucidate their contact behavior. In this study, we revealed that charge transfer across a 2D/semiconductor heterointerface and materials characteristics besides work function should be accounted for in fabrication of electrodes based on 2D materials. Our density functional theory (DFT) calculations predicted that charge transfer between ZnO and NbSe 2 lowers the barrier height at the heterojunction and that conductive surface states of ZnO provide an additional conduction channel in the ZnO/NbSe 2 heterostructures. Crystalline ZnO/NbSe 2 heterostructures were prepared by the hydrothermal method. Electrical characterizations of the ZnO/NbSe 2 heterostructures showed Ohmic-like behavior as predicted by the DFT calculations, opposed to the prediction based on the Schottky–Mott model.

2D materials↗