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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Laser angle-resolved photoemission as a probe of initial state k z dispersion, final-state band gaps, and spin texture of Dirac states in the Bi 2 Te 3 topological insulator

Here, we have obtained angle-resolved photoemission (ARPES) spectra from single crystals of the topological insulator material Bi 2 Te 3 using tunable laser spectrometer. The spectra were collected for eleven different photon energies ranging from 5.57 to 6.70 eV for incident light polarized linearly along two different in-plane directions. Parallel first-principles, fully relativistic computations of photo-intensities were carried out using the experimental geometry within the framework of the one-step model of photoemission. Good overall accord between theory and experiment is used to gain insight into how properties of the initial and final state band structures as well as those of the topological surface states and their spin-textures are reflected in the laser-ARPES spectra. In conclusion, our analysis reveals that laser-ARPES is sensitive to both the initial state k z dispersion and the presence of delicate gaps in the final state electronic spectrum.

36 MATERIALS SCIENCE↗
NASA NTRS1992

State-to-state rotational energy-transfer measurements in the nu(2) = 1 state of ammonia by infrared-infrared double resonance

The state-resolved rotational (R-R, R-T) energy transfer in (N-14)H3 (for NH3-NH3 and NH3-Ar collisions) was studied using an IR double-resonance laser spectroscopic technique. Measurements of both the total rate of depopulation by collisions, and the rates of transfer into specific final rovibrational states (v,J,K) were performed using time-resolved tunable diode laser absorption spectroscopy. A kinetic master-equation analysis of time-resolved level populatons was carried out, yielding state-to-state rate constants and propensity rules for NH3-NH3 and NH3-Ar collisions.

Abel, Bernd↗
DOE OSTI2014

Local environment and composition of magnesium gallium layered double hydroxides determined from solid-state {sup 1}H and {sup 71}Ga NMR spectroscopy

Ordering of gallium(III) in a series of magnesium gallium (MgGa) layered double hydroxides (LDHs), [Mg{sub 1−x}Ga{sub x}(OH){sub 2}(NO{sub 3}){sub x}·yH{sub 2}O] was investigated using solid-state {sup 1}H and {sup 71}Ga NMR spectroscopy as well as powder X-ray diffraction. Three different proton environments from Mg{sub 3}-OH, Mg{sub 2}Ga-OH and intergallery water molecules were assigned and quantified using ({sup 1}H,{sup 71}Ga) HETCOR and {sup 1}H MAS NMR. A single {sup 71}Ga site originating from the unique Ga site in the MgGa LDH's was observed in {sup 71}Ga MAS and 3QMAS NMR spectra. Both {sup 1}H MAS NMR spectra recorded at 21.1 T (900 MHz) and elemental analysis show that the synthesized MgGa LDH's had a lower Mg:Ga ratio than that of the starting reactant solution. The origin of this is the formation of soluble [Ga(OH){sub 4}]{sup −} complexes formed during synthesis, and not due to formation of insoluble gallium (oxy)hydroxides. No sign of Ga-O-Ga connectivities or defects were detected for the MgGa LDH's. - Graphical abstract: Two types of hydroxides groups are observed in magnesium gallium layered double hydroxides revealing an ordering of Ga in the cation layer. - Highlights: • Ga is ordered in our magnesium gallium layered double hydroxides. • Ga depletion due to formation of soluble Ga complexes during synthesis. • No sign of Ga rich regions in magnesium gallium LDHs. • Solid state {sup 1}H and {sup 71}Ga give detailed insight into the structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Search for pair production of the scalar top quark in muon plus tau final states

Here, we present a search for the pair production of scalar top quarks ($\sim\atop{t}$ 1 ), the lightest supersymmetric partners of the top quarks, in $p\bar{p}$ collisions at a center-of-mass energy of 1.96 TeV, using data corresponding to an integrated luminosity of 7.3fb -1 collected with the D0 experiment at the Fermilab Tevatron Collider. Each scalar top quark is assumed to decay into a b quark, a charged lepton, and a scalar neutrino (ν˜). We investigate final states arising from$\sim\atop{t}$ 1 $≂\atop{t}$ 1 →$b\bar{b}$ μτ$\sim\atop{v}$$\sim\atop{v}$ and $\sim\atop{t}$ 1 $≂\atop{t}$ 1 →$b\bar{b}$ ττ$\sim\atop{v}$$\sim\atop{v}$. With no significant excess of events observed above the background expected from the standard model, we set exclusion limits on this production process in the (m$\sim\atop{t}$ 1 , m$\sim\atop{v}$) plane.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Anisotropic impurity states, quasiparticle scattering and nematic transport in underdoped Ca(Fe1-xCo x )2As2

Iron-based high-temperature superconductivity develops when the ‘parent’ antiferromagnetic/orthorhombic phase is suppressed, typically by introduction of dopant atoms1. But their impact on atomic-scale electronic structure, although in theory rather complex2,3,4,5,6,7,8,9,10,11,12,13, is unknown experimentally. What is known is that a strong transport anisotropy14,15,16,17,18,19,20,21,22,23,24,25 with its resistivity maximum along the crystal b axis14,15,16,17,18,19,20,21,22,23,24,25, develops with increasing concentration of dopant atoms14,20,21,22,23,24,25; this ‘nematicity’vanishes when the parent phase disappears near the maximum superconducting Tc. The interplay between the electronic structure surrounding each dopant atom, quasiparticle scattering therefrom and the transport nematicity has therefore become a pivotal focus7,8,12,22,23 of research into these materials. Here, by directly visualizing the atomic-scale electronic structure, we show that substituting Co for Fe atoms in underdoped Ca(Fe1-xCox)2As2 generates a dense population of identical anisotropic impurity states. Each is ~ 8 Fe–Fe unit cells in length, and all are distributed randomly but aligned with the antiferromagnetic a axis. By imaging their surrounding interference patterns, we further demonstrate that these impurity states scatter quasiparticles in a highly anisotropic manner, with the maximum scattering rate concentrated along the b axis. These data provide direct support for the recent proposals7,8,12,22,23 that it is primarily anisotropic scattering by dopant-induced impurity states that generates the transport nematicity; they also yield simple explanations for the enhancement of the nematicity proportional to the dopant density14,20,21,22,23,24,25 and for the occurrence of the highest resistivity along the b axis14,15,16,17,18,19,20,21,22,23,24,25.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Uniform second Li ion intercalation in solid state ϵ-LiVOPO4

Full, reversible intercalation of two Li + has not yet been achieved in promising VOPO 4 electrodes. A pronounced Li + gradient has been reported in the low voltage window (i.e., second lithium reaction) that is thought to originate from disrupted kinetics in the high voltage regime (i.e., first lithium reaction). Here, we employ a combination of hard and soft x–ray photoelectron and absorption spectroscopy techniques to depth profile solid state synthesized LiVOPO 4 cycled within the low voltage window only. Analysis of the vanadium environment revealed no evidence of a Li + gradient, which combined with almost full theoretical capacity confirms that disrupted kinetics in the high voltage window are responsible for hindering full two lithium insertion. Furthermore, we argue that the uniform Li + intercalation is a prerequisite for the formation of intermediate phases Li1.50VOPO 4 and Li 1.75 VOPO 4 . The evolution from LiVOPO 4 to Li 2 VOPO 4 via the intermediate phases is confirmed by direct comparison between O K–edge absorption spectroscopy and density functional theory.

25 ENERGY STORAGE↗
DOE OSTI2012

Evolution of Magnetic Oxygen States in Sr-Doped LaCoO3

Magnetism in La1-xSrxCoO3 as a function of doping is investigated with x-ray absorption spectroscopy and x-ray magnetic circular dicrhoism at the O K edge, and corresponding first principles electronic structure calculations. For small x, the spectra are consistent with the formation of ferromagnetic clusters occurring within a nonmagnetic insulating matrix. Sr-induced, magnetic O-hole states form just above EF and grow with increasing Sr doping. Density functional calculations for x=0 yield a nonmagnetic ground state with the observed rhombohedral distortion and indicates that doping introduces holes at the Fermi level in magnetic states with significant O 2p and Co t2g character for the undistorted pseudocubic structure. Supercell calculations show stronger magnetism on oxygen atoms having more Sr neighbors.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Broadband 2D Electronic Spectroscopy Reveals a Carotenoid Dark State in Purple Bacteria

Although the energy transfer processes in natural light-harvesting systems have been intensively studied for the past 60 years, certain details of the underlying mechanisms remain controversial. We performed broadband two-dimensional (2D) electronic spectroscopy measurements on light-harvesting proteins from purple bacteria and isolated carotenoids in order to characterize in more detail the excited-state manifold of carotenoids, which channel energy to bacteriochlorophyll molecules. The data revealed a well-resolved signal consistent with a previously postulated carotenoid dark state, the presence of which was confirmed by global kinetic analysis. The results point to this state’s role in mediating energy flow from carotenoid to bacteriochlorophyll.

14 SOLAR ENERGY↗
DOE OSTI2013

Teleportation of a two-qubit arbitrary unknown state using a four-qubit genuine entangled state with the combination of bell-state measurements

We propose a protocol transferring an arbitrary unknown two-qubit state using the quantum channel of a four-qubit genuine entangled state. Simplifying the four-qubit joint measurement to the combination of Bell-state measurements, it can be realized more easily with currently available technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Phase Diagram of KxFe2-ySe2-zSz and the Suppression of its Superconducting State by an Fe2-Se/S Tetrahedron Distortion

We report structurally tuned superconductivity in a K{sub x}Fe{sub 2-y}Se{sub 2-z}S{sub z} (0 {le} z {le} 2) phase diagram. Superconducting T{sub c} is suppressed as S is incorporated into the lattice, eventually vanishing at 80% of S. The magnetic and conductivity properties can be related to stoichiometry on a poorly occupied Fe1 site and the local environment of a nearly fully occupied Fe2 site. The decreasing T{sub c} coincides with the increasing Fe1 occupancy and the overall increase in Fe stoichiometry from z = 0 to z = 2. Our results indicate that the irregularity of the Fe2-Se/S tetrahedron is an important controlling parameter that can be used to tune the ground state in the new superconductor family.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Modulated Synthesis of Metal‐Organic Frameworks through Tuning of the Initial Oxidation State of the Metal

Modulated solvothermal synthesis and other alterations of synthetic conditions have been used to control metal‐organic framework (MOF) crystallinity, porosity, and other properties. However, so far these changes have mostly been limited to changes in solvent, pH, or modulating acid type or concentration. In this work, we introduce a new method for the tuning of MOF synthesis: modulation through alteration of the metal source's initial oxidation state. By choosing a metal source that should be reduced or oxidized at high temperature in the solvent, metal concentration can be started at zero for initially insoluble starting materials and then increased as the metal reacts with the solvent, slowing and altering crystallization compared to standard MOF solvothermal synthesis. This concept is demonstrated through the synthesis of PCN‐47, PCN‐48, and PCN‐49, MOFs with distinct structures and porosities synthesized from the same metal and ligand with the metal initially in different oxidation states.

Bosch, Mathieu↗