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At least 703 records · Page 39

Influence of strain induced by AlN nucleation layer on the electrical properties of AlGaN/GaN heterostructures on Si(111) substrate

The crack-free metal-organic chemical vapor deposition (MOCVD) grown AlGaN/GaN heterostructures on Si substrate with modified growth conditions of AlN nucleation layer (NL) and its influence on the electrical and structural properties of conductive GaN layer are presented. From the Hall electrical measurements, a gradual decrease of two-dimensional electron gas (2DEG) concentration near heterointerface as the function of NL thickness is observed possibly due to the reduction in difference of piezoelectric polarization charge densities between AlGaN and GaN layers. It also indicates that the minimum tensile stress and a relatively less total dislocation density for high pressure grown NL can ensure a 20 % increment in mobility at room temperature irrespective of the interface roughness. The thickness and pressure variations in NL and the subsequent changes in growth mode of AlN contributing to the post growth residual tensile stress are investigated using X-ray diffraction and Raman scattering experiments, respectively. The post growth intrinsic residual stress in top layers of heterostructures arises from lattice mismatches, NL parameters and defect densities in GaN. Hence, efforts to reduce the intrinsic residual stress in current conducting GaN layer give an opportunity to further improve the electrical characteristics of AlGaN/GaN device structures on Si.

36 MATERIALS SCIENCE↗

A Review on Lithium Phosphorus Oxynitride

Lithium phosphorus oxynitride (LiPON) has paved the way for thin film solid-state battery technology development and has shown application in a large range of fields since its first reported synthesis in 1993. The term LiPON describes the family of materials with the general formula of LixPOyNz offering a great range of stoichiometries with varying properties. Understanding how the properties of LiPON are affected by different preparation methods is important for tuning this material to fit the required application. It is also useful to understand the LiPON relation between the amorphous structure and ionic conductivity, as well as the electrochemically degradation in contact with electrode materials. This review summarizes various methods of synthesizing LiPON and evaluates them on the basis of multiple properties of the resulting material. Structure–property relationships are identified to categorize the various LiPON stoichiometries that have been synthesized. Possible lithium ion conduction pathways and electrochemical degradation mechanism in LiPON are discussed. Representative applications of LiPON films are also introduced. At the end of this review, insights for future research into LiPON materials are provided.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Deposition of Silicon Films Doped with Boron and Phosphorus by the Gas-Jet Plasma-Chemical Method

Doped silicon films are fabricated using diborane and phosphine as doping gases by gas-jet plasma-chemical deposition with the application of an electron beam. The influence of the dopant-gas concentration, the addition of a fluorine-containing gas, and the background pressure on the conductivity and crystalline structure of silicon layers is investigated. Boron-doped amorphous films (a-Si:H) with a conductivity up to 5.2 × 10{sup –3} (Ω cm){sup –1} are fabricated; when doping with phosphorus, microcrystalline silicon films (mc-Si:H) with a crystallinity up to 70% and conductivity at a level of 1 (Ω cm){sup –1} are fabricated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Atom vacancies and electronic transmission Stark effects in boron nanoflake junctions

Finite-sized boron nanomaterials have received little attention in comparison to their graphene-like 2D boron analogues. It is with systems of precise atomic structures where the electrical conductance can be most fruitfully analyzed at the fundamental level. To understand how conductance varies with respect to the electronic structure, and particularly with vacancies, we study finite-sized boron nanoflakes (BNFs) and closely examine their remarkable changes in physical properties. Unlike carbon-based materials, we find from non-equilibrium Green's functions density functional theory (NEGF-DFT) calculations that the charge transport of BNFs with 35–37 atoms is modulated by site-specific atomic vacancies. Here, the BNF with no vacancy (B 37 ) shows significantly lower conductivity (9.23 μS), than B 36 with one vacancy (46.1 μS), and lower still than with two vacancies (B 35 , 54.2 μS). From the thermopower function, these nanomaterials change from strong hole conductors to electron and back to hole conductors with the addition of each vacancy, from a doublet (B 37 ) to singlet (B 36 ) to doublet (B 35 ) ground state, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural origin of disorder-induced ion conduction in NaFePO 4 cathode materials

Diffusion in NaFePO 4 can be enhanced through amorphization. Based on computations using DFT and machine learning potentials, we ascribe this phenomenon to the formation of less constrained Na-ion environments upon disordering. Most modern battery technologies depend on solid-state crystalline cathode materials. However, some of these materials are constrained by the low ionic conductivity of their most stable phases. An example of this is maricite (NaFePO 4 ). Interestingly, experiments have shown that maricite can improve its rate capability through disordering (amorphization). However, experimental characterization of amorphous cathode materials remains a major challenge, hindering a clear understanding of the structural origin of the disorder-induced improvement in sodium-ion mobility. To address this, we here employ molecular dynamics simulations by first training a machine learning potential for NaFePO 4 based on the atomic cluster expansion approach and a batch active learning potential parameterization scheme. This potential is then applied to explore the structural and dynamical properties of NaFePO 4 glasses as cathode materials. Specifically, we investigate the effect of glass structure on sodium-ion diffusion, revealing the relative influences of short-range and medium-range order features. We find significant heterogeneity in sodium-ion diffusivity in the glass, with fast-conducting ions residing in less constrained atomic environments with fewer P and Fe neighbors. These more mobile ions are also surrounded by larger ring-type structures. Overall, the results and developed approach present promising avenues for developing high-performance glassy cathodes for next-generation batteries.

Christensen, Rasmus↗

Approaching PetaVolts per Meter Plasmonics Using Structured Semiconductors

A newly uncovered class of plasmons in the strongly excited limit opens access to unprecedented Petavolts per meter electromagnetic fields with wide-ranging, transformative impact. Unlike conventional plasmons, such plasmons are constituted by non-perturbative, large-amplitude oscillations of the ultradense, delocalized free electron Fermi gas inherent in conductive media. Here structured semiconductors doped to have an appropriate conduction electron density are introduced to tune the properties of the Fermi gas for matched excitation of large-amplitude plasmons using readily available electron beams which enables immediate experimental validation. Specifically, an electrostatic, surface “crunch-in” plasmon is collisionlessly excited by the beam launched inside a tube. Strong excitation due to matching results in relativistic oscillations of the electron gas and unravels unique phenomena. Relativistically induced ballistic electron transport comes about due to relativistic multifold increase in the mean free path and also leads to unconventional heat deposition beyond Ohm’s law. This explains the absence of observed damage or solid-plasma formation in past experiments on conductive samples interacting with electron bunches shorter than 10-13 seconds. Furthermore, relativistic momentum leads to copious tunneling of electron gas across the surface, which then crunches inside the tube. Relativistic effects along with large, localized electron density variations underlying these modes necessitate kinetic approach to theoretical and computational modeling. Kinetic model presented here demonstrates experimental viability of observing tens of gigavolts per meter plasmonic fields excited by matching readily available electron beams to plasmons in semiconductors with 1018cm-3 free electron density, and paves the way for Petavolts per meter plasmonics.

42 ENGINEERING↗

Magnetic functionalization and catalytic behavior of magnetic nanoparticles during laser photochemical graphitization of polyimide

We report laser-assisted photochemical graphitization of polyimides (PIs) into functional magnetic nanocomposites using laser irradiation of PI in the presence of magnetite nanoparticles (MNPs). PI Kapton sheets covered with MNP were photochemically treated under ambient conditions using a picosecond pulsed laser (1064 nm) to obtain an electrically conductive material. Scanning electron microscopy of the treated material revealed a layered magnetic nanoparticle/graphite (MNP/graphite) nanocomposite structure. Four probe conductivity measurements indicated that the nanocomposite has an electrical conductivity of 1550 ± 60 S/m. Superconducting quantum interference device magnetometer-based magnetic characterization of the treated material revealed an anisotropic ferromagnetic response in the MNP/graphite nanocomposite compared to the isotropic response of MNP. Raman spectroscopy of the MNP/graphite nanocomposite revealed a fourfold improvement in graphitization, suppression in disorder, and decreased nitrogenous impurities compared to the graphitic material obtained from laser treatment of just PI sheets. X-ray photoelectron spectroscopy, x-ray diffraction, and energy-dispersive x-ray spectroscopy were used to delineate the phase transformations of MNP during the formation of MNP/graphite nanocomposite. Post-mortem characterization indicates a possible photocatalytic effect of MNP during MNP/graphite nanocomposite formation. Under laser irradiation, MNP transformed from the initial Fe 3 O 4 phase to γ-Fe 2 O 3 and Fe 5 C 2 phases and acted as nucleation spots to catalyze the graphitization process of PI.

36 MATERIALS SCIENCE↗

Cosmological simulations of isotropic conduction in galaxy clusters

Simulations of galaxy clusters have a difficult time reproducing the radial gas-property gradients and red central galaxies observed to exist in the cores of galaxy clusters. Thermal conduction has been suggested as a mechanism that can help bring simulations of cluster cores into better alignment with observations by stabilizing the feedback processes that regulate gas cooling, but this idea has not yet been well tested with cosmological numerical simulations. Here we present cosmological simulations of 10 galaxy clusters performed with five different levels of isotropic Spitzer conduction, which alters both the cores and outskirts of clusters, though not dramatically. In the cores, conduction flattens central temperature gradients, making them nearly isothermal and slightly lowering the central density, but failing to prevent a cooling catastrophe there. Conduction has little effect on temperature gradients outside of cluster cores because outward conductive heat flow tends to inflate the outer parts of the intracluster medium (ICM), instead of raising its temperature. In general, conduction tends reduce temperature inhomogeneity in the ICM, but our simulations indicate that those homogenizing effects would be extremely difficult to observe in ∼5 keV clusters. Outside the virial radius, our conduction implementation lowers the gas densities and temperatures because it reduces the Mach numbers of accretion shocks. We conclude that, despite the numerous small ways in which conduction alters the structure of galaxy clusters, none of these effects are significant enough to make the efficiency of conduction easily measurable, unless its effects are more pronounced in clusters hotter than those we have simulated.

79 ASTRONOMY AND ASTROPHYSICS↗

Design considerations for joints in deployable space truss structures

All of the structures considered for the Control of Flexible Structures (COFS) flight experiments are deployable truss structures and their response will be dominated by the structural response of the joints. To prepare for these experiments some fundamental research work is being conducted in the Structures and Dynamics Division at LaRC which will provide insight into structurally efficient and predictable deployable truss joints. This work involves generic studies of the static and dynamic response of joints as well as the development of analytical models which can be used to predict the response of a large multijointed truss. In addition to the generic joint studies, the research effort encompasses the design and fabrication of a 20-meter long deployable truss beam for laboratory evaluation of its structural characteristics and correlation with developed prediction methods. The experimental results have indicated the importance of attention to detail in the design and fabrication of joints for deployable truss structures. The dimensional relations and material considerations for efficient pin-clevis joints have been outlined. Results of tests on the near-center latch are discussed.

Rhodes, Marvin D.↗

Fuel cell components and systems having carbon-containing electrically-conductive hollow fibers

According to one embodiment, a system includes a structure having an ionically-conductive, electrically-resistive electrolyte/separator layer covering an inner or outer surface of a carbon-containing electrically-conductive hollow fiber and a catalyst coupled to the hollow fiber, an anode extending along at least part of a length of the structure, and a cathode extending along at least part of the length of the structure, the cathode being on an opposite side of the hollow fiber as the anode. In another embodiment, a method includes acquiring a structure having an ionically-conductive, electrically-resistive electrolyte/separator layer covering an inner or outer surface of a carbon-containing electrically-conductive hollow fiber and a catalyst along one side thereof, adding an anode that extends along at least part of a length of the structure, and adding a cathode that extends along at least part of the length of the structure on an opposite side as the anode.

25 ENERGY STORAGE↗

Density of Electronic States in the Conduction Band of Ultrathin Films of Naphthalenedicarboxylic Anhydride and Naphthalenetetracarboxylic Dianhydride on the Surface of Oxidized Silicon

The results of examination of the electronic structure of the conduction band of naphthalenedicarboxylic anhydride (NDCA) films in the process of their deposition on the surface of oxidized silicon are presented. These results were obtained using total current spectroscopy (TCS) in the energy range from 5 to 20 eV above the Fermi level. The energy position of the primary maxima of the density of unoccupied states (DOUS) of an NDCA film was determined based on the experimental TCS data and calculated data and compared with the position of the DOUS maxima of a naphthalenetetracarboxylic dianhydride (NTCDA) film. The theoretical analysis involved calculating the energies and the spatial distribution of orbitals of the molecules under study at the B3LYP/6-31G(d) DFT (density functional theory) level and correcting the obtained energies in accordance with the procedure that was proven effective in earlier studies of the conduction band of films of small conjugated organic molecules. It was found that the DOUS maxima of the NTCDA film in the studied energy interval from 5 to 20 eV above the Fermi level are shifted toward lower electron energies by 1–2 eV relative to the corresponding DOUS maxima of the NDCA film Subdivision of the Ufa Federal Research Centre of the.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structure of semiconducting versus fast-ion conducting glasses in the Ag–Ge–Se system

The transition from a semiconductor to a fast-ion conductor with increasing silver content along the Ag x (Ge 0.25 Se 0.75 ) (100-x) tie line (0≤x≤25) was investigated on multiple length scales by employing a combination of electric force microscopy, X-ray diffraction, and neutron diffraction. The microscopy results show separation into silver-rich and silver-poor phases, where the Ag-rich phase percolates at the onset of fast-ion conductivity. The method of neutron diffraction with Ag isotope substitution was applied to the x=5 and x=25 compositions, and the results indicate an evolution in structure of the Ag-rich phase with change of composition. The Ag–Se nearest-neighbours are distributed about a distance of 2.64(1) Å, and the Ag–Se coordination number increases from 2.6(3) at x=5 to 3.3(2) at x=25. For x=25, the measured Ag–Ag partial pair-distribution function gives 1.9(2) Ag–Ag nearest-neighbours at a distance of 3.02(2) Å. The results show breakage of Se–Se homopolar bonds as silver is added to the Ge 0.25 Se 0.75 base glass, and the limit of glass-formation at x≃28 coincides with an elimination of these bonds. A model is proposed for tracking the breakage of Se–Se homopolar bonds as silver is added to the base glass.

74 ATOMIC AND MOLECULAR PHYSICS↗

Highly efficient conductance control in a topological insulator based magnetoelectric transistor

The spin-momentum interlocked properties of the topological insulator (TI) surface states are exploited in a transistor-like structure for efficient conductance control in the TI-magnet system. Combined with the electrically induced magnetization rotation as part of the gate function, the proposed structure takes advantage of the magnetically modulated TI electronic band dispersion in addition to the conventional electrostatic barrier. The transport analysis coupled with the magnetic simulation predicts super-steep current-voltage characteristics near the threshold along with the GHz operating frequencies. Potential implementation to a complementary logic is also examined. The predicted characteristics are most suitable for applications requiring low power or those with small signals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Study of advanced composite structural design concepts for an arrow wing supersonic cruise configuration, task 3

A structural design study was conducted to assess the relative merits of structural concepts using advanced composite materials for an advanced supersonic aircraft cruising at Mach 2.7. The configuration and structural arrangement developed during Task I and II of the study, was used as the baseline configuration. Allowable stresses and strains were established for boron and advanced graphite fibers based on projected fiber properties available in the next decade. Structural concepts were designed and analyzed using graphite polyimide and boron polyimide, applied to stiffened panels and conventional sandwich panels. The conventional sandwich panels were selected as the structural concept to be used on the wing structure. The upper and lower surface panels of the Task I arrow wing were redesigned using high-strength graphite polyimide sandwich panels over the titanium spars and ribs. The ATLAS computer system was used as the basis for stress analysis and resizing the surface panels using the loads from the Task II study, without adjustment for change in aeroelastic deformation. The flutter analysis indicated a decrease in the flutter speed compared to the baseline titanium wing design. The flutter analysis indicated a decrease in the flutter speed compared to the baseline titanium wing design. The flutter speed was increased to that of the titanium wing, with a weight penalty less than that of the metallic airplane.

Source record↗

Conduction in titanium dioxide films and metal–TiO{sub 2}–Si structures

The effect of the annealing of titanium oxide films on the electrical properties of metal–TiO{sub 2}–n-Si structures is investigated. It is shown that, regardless of the annealing temperature, the conductivity of the structures at positive gate potentials is determined by the space-charge-limited current in the insulator with traps exponentially distributed in terms of energy. At negative gate potentials, the main contribution to the current is provided by the generation of electron–hole pairs in the space-charge region in silicon. The properties of the TiO{sub 2}/n-Si interface depend on the structure and phase state of the oxide film, which are determined by the annealing temperature.

36 MATERIALS SCIENCE↗

Equilibrium Limit of Boundary Scattering in Carbon Nanostructures: Molecular Dynamics Calculations of Thermal Transport

It is widely known that graphene and many of its derivative nanostructures have exceedingly high reported thermal conductivities (up to 4000 W/mK at 300 K). Such attractive thermal properties beg the use of these structures in practical devices; however, to implement these materials while preserving transport quality, the influence of structure on thermal conductivity should be thoroughly understood. For graphene nanostructures, having average phonon mean free paths on the order of one micron, a primary concern is how size influences the potential for heat conduction. To investigate this, we employ a novel technique to evaluate the lattice thermal conductivity from the Green-Kubo relations and equilibrium molecular dynamics in systems where phonon-boundary scattering dominates heat flow. Specifically, the thermal conductivities of graphene nanoribbons and carbon nanotubes are calculated in sizes up to 3 microns, and the relative influence of boundary scattering on thermal transport is determined to be dominant at sizes less than 1 micron, after which the thermal transport largely depends on the quality of the nanostructure interface. The method is also extended to carbon nanostructures (fullerenes) where phonon confinement, as opposed to boundary scattering, dominates, and general trends related to the influence of curvature on thermal transport in these materials are discussed.

Haskins, Justin↗

Filled Co (sub X) Ni (sub 4-x) Sb (sub 12-y) Sn (sub Y) Skutterudites: Processing and Thermoelectric Properties

Skutterudites have proven to be a useful thermoelectric system as a result of their enhanced figure of merit (ZT1), cheap material cost, favorable mechanical properties, and good thermal stability. The majority of skutterudite interest in recent years has been focused on binary skutterudites like CoSb3 or CoAs3. Binary skutterudites are often double and triple filled, with a range of elements from the lanthanide series, in order to reduce the lattice component of thermal conductivity. Ternary and quaternary skutterudites, such as Co4Ge6Se6 or Ni4Sb8Sn4, provide additional paths to tune the electronic structure. The thermal conductivity can further be improved in these complex skutterudites by the introduction of fillers. The Co (sub X) Ni (sub 4-x) Sb (sub 12-y) Sn (sub Y) system has been investigated as both a p- and n-type thermoelectric material, and is stable up to 200 degrees Centigrade. Yb, Ce, and Dy fillers have been introduced into the skutterudite to study the influence of both the type and the quantity of fillers on processing conditions and thermoelectric properties. The system was processed through a multi-step technique that includes solidification, mechano-chemical alloying, and hot pressing which will be discussed along with thermoelectric transport properties.

Thermoelectricity↗

Filled Nd(sub z) Fe(sub x) Co(sub 4-x) Sb(sub 12-y) Ge(sub y) Skutterudites: Processing and Thermoelectric Properties

Skutterudites have proven to be a useful thermoelectric system as a result of their enhanced figure of merit (ZT1), cheap material cost, favorable mechanical properties, and good thermal stability. The majority of skutterudite interest in recent years has been focused on binary skutterudites like CoSb3. Binary skutterudites are often double and triple filled, with a range of elements from the lanthanide series, in order to reduce the lattice component of thermal conductivity. Ternary and quaternary skutterudites, such as Co4Ge6Se6 or Ni4Sb8Sn4, provide additional paths to tune the electronic structure. The thermal conductivity can further be improved in these complex skutterudites by the introduction of fillers. The Nd (sub z) Fe (sub x) Co (sub 4-x) Sb (sub 12-y)Ge (sub y) system has been investigated as a p-type thermoelectric material, and is stable up to 600 degrees Centigrade. The influence of Fe and Ge content, along with filler Nd, was investigated on thermoelectric transport properties. In addition to the chemical influence on properties, some processing details of the system will also be addressed.

Electical Conductivity↗