Comparison of preparation techniques for nuclear materials for transmission electron microscopy (TEM)
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Aitkaliyeva, Assel↗
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Crystals, magnetic and electronic properties of a new ThCr{sub 2}Si{sub 2}-type BaMn{sub 2}Bi{sub 2} and K-doped compositions
This is a report on the new 122 ternary transition-metal pnictide of BaMn{sub 2}Bi{sub 2}, which is crystallized from bismuth flux. BaMn{sub 2}Bi{sub 2} adopts ThCr{sub 2}Si{sub 2}-type structure (I4/mmm) with a=4.4902(3) Å and c=14.687(1) Å; it is antiferromagnetic with anisotropic magnetic susceptibility and semiconducting with a band gap of E{sub g}=6 meV. Heat capacity result confirms the insulating ground state in BaMn{sub 2}Bi{sub 2} with the electronic residual Sommerfeld coefficient of γ=0. The high temperature magnetization results show that magnetic ordering temperature is T{sub N} ∼400 K. Hole-doping in BaMn{sub 2}Bi{sub 2} via potassium in Ba{sub 1−x}K{sub x}Mn{sub 2}Bi{sub 2} results in metallic behavior for x=0.10(1), 0.32(1) and 0.36(1). With K-doping, more magnetically anisotropic behavior is observed. Although there is a downturn in electrical resistivity and low-field magnetization data below 4 K in>30%-doped crystals, there is no sign of zero resistance or diamagnetism. - Graphical abstract: Local moment antiferromagnet BaMn{sub 2}Bi{sub 2}, the first bismuthide with ThCr{sub 2}Si{sub 2} structure, turns metallic upon K-doping. Highlights: • BaMn{sub 2}Bi{sub 2} and Ba{sub 1−x}K{sub x}Mn{sub 2}Bi{sub 2} (0≤x<0.4) measuring up to 1 cm in length have been synthesized from Bi flux reactions. • BaMn{sub 2}Bi{sub 2} is the first bismuthide with ThCr{sub 2}Si{sub 2}-type structure. • BaMn{sub 2}Bi{sub 2} is a small gap semiconductor but, upon hole-doping, turns metallic with a downturn in resistivity below 4 K. • BaMn{sub 2}Bi{sub 2} is a local moment antiferromagnet with T{sub N} ∼400 K.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Broad Applicability of Electrochemical Impedance Spectroscopy to the Measurement of Oxygen Nonstoichiometry in Mixed Ion and Electron Conductors
Oxygen non-stoichiometry is a fundamental feature of mixed ion and electron conductors (MIECs). In this work a general electrochemical method for determining non-stoichiometry in thin film MIECs, via measurement of the chemical capacitance, is demonstrated using ceria and ceria-zirconia (Ce 0.8 Zr 0.2 O 2-δ ) as representative materials. A.C. impedance data are collected from both materials at high temperature (750-900 °C) under reducing conditions with oxygen partial pressure (pO 2 ) in the range 10-13 to 10-20 atm. Additional measurements of ceria-zirconia films are made under relatively oxidizing conditions with pO 2 in the range 0.2 to 10 -4 atm and temperatures of 800-900 °C. Under reducing conditions, the impedance spectra are described by a simple circuit in which a resistor is in series with a resistor and capacitor in parallel, and thickness dependent measurements are used to resolve the capacitance into interfacial and chemical terms. Under more oxidizing conditions, the impedance spectra (of Ce 0.8 Zr 0.2 O 2-δ ) reveal an additional diffusional feature, which enables determination of the ionic resistance of the film in addition to the capacitance, and hence the transport properties. A generalized mathematical formalism is presented for recovering the non-stoichiometry from the chemical capacitance, without recourse to defect chemical models. The ceria non-stoichiometry values are in good agreement with literature values determined by thermogravimetric measurements but display considerably less scatter and are collected on considerably shorter timescales. Here, the thermodynamic analysis of Ce 0.8 Zr 0.2 O 2-δ corroborates earlier findings that introduction of Zr into ceria enhances its reducibility.
08 HYDROGEN↗
Reduced Heterogeneity of Electron Transfer into Polycrystalline TiO 2 Films: Site Specific Kinetics Revealed by Single-Particle Spectroscopy
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bio-inspired↗
Electronic and chemical state of aluminum from the single- (K) and double-electron excitation (KL II&III , KL I ) x-ray absorption near-edge spectra of α-alumina, sodium aluminate, aqueous Al³⁺•(H₂O)₆, and aqueous Al(OH)₄⁻
We probe, at high energy resolution, the double electron excitation (KL II&II ) x-ray absorption region that lies approximately 115 eV above the main Al K-edge (1566 eV) of α-alumina and sodium aluminate. The two solid standards, α-alumina (octahedral) and sodium aluminate (tetrahedral) are compared to aqueous species that have the same Al coordination symmetries, Al³⁺•6H₂O (octahedral) and Al(OH)₄⁻ (tetrahedral). For the octahedral species, the edge height of the KL II&III -edge is approximately 10% of the main K-edge however the edge height is much weaker (3% of K-edge height) for Al species with tetrahedral symmetry. For the α-alumina and aqueous Al³⁺•6H₂O the KL II&III spectra contain white line features and extended absorption fine structure (EXAFS) that mimics the K-edge spectra. The KL II&III -edge feature interferes with an important region of the extended-XAFS region of the spectra for the K-edge of the crystalline and aqueous standards. The K-edge spectra and K-edge positions are predicted using time-dependent density functional theory (TDDFT). The TDDFT calculations for the K-edge XANES spectra reproduce the observed transitions in the experimental spectra of the four Al species. The KL II&III and KL I onsets and their corresponding chemical shifts for the four standards are estimated using the delta self-consistent field (ΔSCF) method. Research by JLF, NG, EJB, AV, TDS was supported by U.S. Department of Energy’s (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. NG thanks Amity Andersen for help with the α-Al₂O₃ and tetrahedral sodium aluminate (NaAlO₂) clusters. All the calculations were performed using the Molecular Science Computing Capability at EMSL, a national scientific user facility sponsored by the U.S. Department of Energy’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated for DOE by Battelle under Contract # AC05-76RL01830.
aluminum↗
Control of electronic topology in a strongly correlated electron system
It is becoming increasingly clear that breakthrough in quantum applications necessitates materials innovation. In high demand are conductors with robust topological states that can be manipulated at will. This is what we demonstrate in the present work. We discover that the pronounced topological response of a strongly correlated “Weyl-Kondo” semimetal can be genuinely manipulated—and ultimately fully suppressed—by magnetic fields. We understand this behavior as a Zeeman-driven motion of Weyl nodes in momentum space, up to the point where the nodes meet and annihilate in a topological quantum phase transition. The topologically trivial but correlated background remains unaffected across this transition, as is shown by our investigations up to much larger fields. Our work lays the ground for systematic explorations of electronic topology, and boosts the prospect for topological quantum devices.
36 MATERIALS SCIENCE↗
The role of electron correlations in the electronic structure of putative Chern magnet TbMn6Sn6
Abstract A member of the RMn 6 Sn 6 rare-earth family materials, TbMn 6 Sn 6 , recently showed experimental signatures of the realization of a quantum-limit Chern magnet. In this work, we use quantum Monte Carlo (QMC) and density functional theory with Hubbard U (DFT + U ) calculations to examine the electronic structure of TbMn 6 Sn 6 . To do so, we optimize accurate, correlation-consistent pseudopotentials for Tb and Sn using coupled-cluster and configuration–interaction (CI) methods. We find that DFT + U and single-reference QMC calculations suffer from the same overestimation of the magnetic moments as meta-GGA and hybrid density functional approximations. Our findings point to the need for improved orbitals/wavefunctions for this class of materials, such as natural orbitals from CI, or for the inclusion of multi-reference effects that capture the static correlations for an accurate prediction of magnetic properties. DFT + U with Mn magnetic moments adjusted to the experiment predict the Dirac crossing in bulk to be close to the Fermi level, within ~120 meV, in agreement with the experiments. Our non-stoichiometric slab calculations show that the Dirac crossing approaches even closer to the Fermi level, suggesting the possible realization of Chern magnetism in this limit.
36 MATERIALS SCIENCE↗
Influence of the shear flow on electron cyclotron resonance plasma confinement in an axisymmetric magnetic mirror trap of the electron cyclotron resonance ion source
Influence of shear flows of the dense plasma created under conditions of the electron cyclotron resonance (ECR) gas breakdown on the plasma confinement in the axisymmetric mirror trap (''vortex'' confinement) was studied experimentally and theoretically. A limiter with bias potential was set inside the mirror trap for plasma rotation. The limiter construction and the optimal value of the potential were chosen according to the results of the preliminary theoretical analysis. This method of ''vortex'' confinement realization in an axisymmetric mirror trap for non-equilibrium heavy-ion plasmas seems to be promising for creation of ECR multicharged ion sources with high magnetic fields, more than 1 T.
43 PARTICLE ACCELERATORS↗
RF Design of X-Band RF Deflector for Femtosecond Diagnostics of LCLS Electron Beam
Abstract Not Provided
Accelerators,ACCPHY↗
Electron molecular beam epitaxy: Layer-by-layer growth of complex oxides via pulsed electron-beam deposition
Complex oxide epitaxial film growth is a rich and exciting field, owing to the wide variety of physical properties present in oxides. These properties include ferroelectricity, ferromagnetism, spin-polarization, and a variety of other correlated phenomena. Traditionally, high quality epitaxial oxide films have been grown via oxide molecular beam epitaxy or pulsed laser deposition. Here, we present the growth of high quality epitaxial films using an alternative approach, the pulsed electron-beam deposition technique. We demonstrate all three epitaxial growth modes in different oxide systems: Frank-van der Merwe (layer-by-layer); Stranski-Krastanov (layer-then-island); and Volmer-Weber (island). Analysis of film quality and morphology is presented and techniques to optimize the morphology of films are discussed.
36 MATERIALS SCIENCE↗
Magnetic electron focusing and tuning of the electron current with a pn-junction
Transverse magnetic focusing properties of graphene using a ballistic four terminal structure are investigated. The electric response is obtained using the semiclassical billiard model. The transmission exhibits pronounced peaks as a consequence of skipping orbits at the edge of the structure. When we add a pn-junction between the two probes, snake states along the pn-interface appear. Injected electrons are guided by the pn-interface to one of the leads depending on the value of the applied magnetic field. Oscillations in the resistance are found depending on the amount of particles that end up in each lead.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Nonadiabatic electron dynamics of single-electron transport in a perpendicular magnetic field
We present results of our investigation into the nonadiabatic electron dynamics of a moving quantum dot assisted by surface acoustic waves (SAWs) in a perpendicular magnetic field. The measurements show the evolution of a quantized acoustoelectric current in a modulated external field, which provides direct information of the energy spectrum and the occupation of the SAW-induced elliptical dynamical quantum dot. By comparing the magnetic field dependence of the spectrum with that of a somewhat symmetric circular dot, we find the appearance of nonadiabatic excitations at low magnetic fields resulting from the anisotropy of the dot. We also detect the transitions between different quantum states of the elliptical dot, achieved by exploiting the interference of two phase-tuned SAWs. Our results demonstrate that the quantum states in an asymmetric dot are fragile and extremely sensitive to their environment.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Electron lone pair distortion facilitated metal-insulator transition in β-Pb{sub 0.33}V{sub 2}O{sub 5} nanowires
The electronic structure of β-Pb{sub 0.33}V{sub 2}O{sub 5} nanowires has been studied with x-ray photoelectron spectroscopy techniques. The recent synthesis of defect-free β-Pb{sub 0.33}V{sub 2}O{sub 5} nanowires resulted in the discovery of an abrupt voltage-induced metal insulator transition. First principle calculations predicted an additional V-O-Pb hybridized “in-gap” state unique to this vanadium bronze playing a significant role in facilitating the transition. We confirm the existence, energetic position, and orbital character of the “in-gap” state. Moreover, we reveal that this state is a hybridized Pb 6s–O 2p antibonding lone pair state resulting from the asymmetric coordination of the Pb{sup 2+} ions.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Electronic structure and rovibrational properties of ZnOH in the X{sup ~2}A{sup ′} electronic state: A computational molecular spectroscopy study
The three-dimensional ground-state potential energy surface of ZnOH has been calculated ab initio at the MR-SDCI+Q-DK3/[QZP ANO-RCC (Zn, O, H)] level of theory and used as basis for a study of the rovibrational properties carried out by means of the program MORBID (Morse Oscillator Rigid Bender Internal Dynamics). The electronic ground state is {sup 2}A′ (correlating with {sup 2}Σ{sup +} at the linear configuration). The equilibrium structure has r{sub e}(Zn–O) = 1.8028 Å, r{sub e}(O–H) = 0.9606 Å, and ∠{sub e}(Zn–O–H) = 114.9°. The Zn–O bond is essentially ionic, with appreciable covalency. The bonding character is compared with those of FeOH (quasi-linear) and CsOH (linear). The rovibrationally averaged structural parameters, determined as expectation values over MORBID wavefunctions, are 〈r(Zn–O)〉{sub 0} = 1.8078 Å, 〈r(O–H)〉{sub 0} = 0.9778 Å, and 〈∠(Zn–O–H)〉{sub 0} = 117°. The Yamada-Winnewisser quasi-linearity parameter is found to be γ{sub 0} = 0.84, which is close to 1.0 as expected for a bent molecule. Since no experimental rovibrational spectrum has been reported thus far, this spectrum has been simulated from the ab initio potential energy and dipole moment surfaces. The amphoteric character of ZnOH is also discussed.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Spatio-temporal coherence of free-electron laser radiation in the extreme ultraviolet determined by a Michelson interferometer
A key feature of extreme ultraviolet (XUV) radiation from free-electron lasers (FELs) is its spatial and temporal coherence. We measured the spatio-temporal coherence properties of monochromatized FEL pulses at 13.5 nm using a Michelson interferometer. A temporal coherence time of (59±8) fs has been determined, which is in good agreement with the spectral bandwidth given by the monochromator. Moreover, the spatial coherence in vertical direction amounts to about 15% of the beam diameter and about 12% in horizontal direction. The feasibility of measuring spatio-temporal coherence properties of XUV FEL radiation using interferometric techniques advances machine operation and experimental studies significantly.
43 PARTICLE ACCELERATORS↗
Head on collision of multi-solitons in an electron-positron-ion plasma having superthermal electrons
The head-on collision and overtaking collision of four solitons in a plasma comprising superthermal electrons, cold ions, and Boltzmann distributed positrons are investigated using the extended Poincare-Lighthill-Kuo (PLK) together with Hirota's method. PLK method yields two separate Korteweg-de Vries (KdV) equations where solitons obtained from any KdV equation move along a direction opposite to that of solitons obtained from the other KdV equation, While Hirota's method gives multi-soliton solution for each KdV equation all of which move along the same direction where the fastest moving soliton eventually overtakes the other ones. We have considered here two soliton solutions obtained from Hirota's method. Phase shifts acquired by each soliton due to both head-on collision and overtaking collision are calculated analytically.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗