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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Current transport mechanisms in lattice-matched Pt/Au-InAlN/GaN Schottky diodes

Lattice-matched Pt/Au-In{sub 0.17}Al{sub 0.83}N/GaN hetreojunction Schottky diodes with circular planar structure have been fabricated and investigated by temperature dependent electrical measurements. The forward and reverse current transport mechanisms are analyzed by fitting the experimental current-voltage characteristics of the devices with various models. The results show that (1) the forward-low-bias current is mainly due to the multiple trap-assisted tunneling, while the forward-high-bias current is governed by the thermionic emission mechanism with a significant series resistance effect; (2) the reverse leakage current under low electric fields (<6 MV/cm) is mainly carried by the Frenkel-Poole emission electrons, while at higher fields the Fowler-Nordheim tunneling mechanism dominates due to the formation of a triangular barrier.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Structural study and DC conductivity of vanadyl doped zinc lithium borate glasses

Glasses with composition xZnO⋅(30 − x)⋅Li{sub 2}O⋅70B{sub 2}O{sub 3} containing 2 mol% of V{sub 2}O{sub 5} (x = 0, 2, 5, 7 and 10) were prepared by standard melt-quench technique. The amorphous nature of the glass samples was confirmed by using x-ray diffraction. The structural changes in these glasses have been investigated by employing IR spectroscopy in the mid-IR range. The infrared spectroscopic analysis confirms the presence of both triangular and tetraheldral coordinated boron units and absence of boroxol ring. It also shows that metal-oxide vibrations are present which are due to the bonding of lithium and zinc ions with oxygen. The dc conductivity was measured in the temperature range 353-523 K. The dc conductivity results show that conductivity decreases and activation energy increases when Li{sub 2}O is replaced by ZnO, keeping the concentration of B{sub 2}O{sub 3} constant. Decrease in conductivity and increase in activation energy shows that addition of ZnO to the glass matrix shows a “blocking effect” on the overall mobility of alkali ions, but at higher concentration the hopping effect was also observed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Dexterous acoustic trapping and patterning of particles assisted by phononic crystal plate

In this letter, we present experimental demonstration of multi-particles trapping and patterning by the artificially engineered acoustic field of phononic crystal plate. Polystyrene particles are precisely trapped and patterned in two dimensional arrays, for example, the square, triangular, or quasi-periodic arrays, depending on the structures of the phononic crystal plates with varying sub-wavelength holes array. Analysis shows that the enhanced acoustic radiation force, induced by the resonant transmission field highly localized near the sub-wavelength apertures, accounts for the particles self-organizing. It can be envisaged that this kind of simple design of phononic crystal plates would pave an alternative route for self-assembly of particles and may be utilized in the lab-on-a-chip devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Magnetic properties of CuFe{sub 1−x}Cr{sub x}O{sub 2} nanoparticles surrounded by amorphous SiO{sub 2}

CuFe{sub 1−x}Cr{sub x}O{sub 2} (0 ≤ x ≤ 1.0) nanoparticles surrounded by amorphous SiO{sub 2} with an average diameter of 30–50 nm were synthesized using a wet chemical method. The annealing temperatures were controlled to yield various sizes of single-phase CuFe{sub 1−x}Cr{sub x}O{sub 2} nanoparticles. CuFeO{sub 2} bulk crystal is known to have a multiferroic delafossite structure with two Néel temperatures of 11 and 14 K; however, the transition temperature shifted higher as the Cr–ion doping level increased. In addition, the lattice constants decreased in accordance with increased Cr-ion doping, which was confirmed by X-ray diffraction measurements. The magnetization curves showed weak ferromagnetic behavior and no coercivity was observed. Hence, frustration in the triangular lattice of the delafossite structure can be released by Cr–ion doping and higher magnetization can be expected. A fine structure analysis through X-ray absorption fine structure measurements was also conducted. It was found that the structure of the Cu ion is similar to that of Cu{sub 2}O, and the c axis of the CuFe{sub 1−x}Cr{sub x}O{sub 2} should be shortened by the Cr–ion doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Graphite edge controlled registration of monolayer MoS{sub 2} crystal orientation

Transition metal dichalcogenides such as the semiconductor MoS{sub 2} are a class of two-dimensional crystals. The surface morphology and quality of MoS{sub 2} grown by chemical vapor deposition are examined using atomic force and scanning tunneling microscopy techniques. By analyzing the moiré patterns from several triangular MoS{sub 2} islands, we find that there exist at least five different superstructures and that the relative rotational angles between the MoS{sub 2} adlayer and graphite substrate lattices are typically less than 3°. We conclude that since MoS{sub 2} grows at graphite step-edges, it is the edge structure which controls the orientation of the islands, with those growing from zig-zag (or armchair) edges tending to orient with one lattice vector parallel (perpendicular) to the step-edge.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

B{sub 27}{sup −}: Appearance of the smallest planar boron cluster containing a hexagonal vacancy

Photoelectron spectroscopy and ab initio calculations have been carried out to probe the structures and chemical bonding of the B{sub 27}{sup −} cluster. Comparison between the experimental spectrum and the theoretical results reveals a two-dimensional (2D) global minimum with a triangular lattice containing a tetragonal defect (I) and two low-lying 2D isomers (II and III), each with a hexagonal vacancy. All three 2D isomers have 16 peripheral boron atoms and 11 inner boron atoms. Isomer I is shown to be mainly responsible for the observed photoelectron spectrum with isomers II and III as minor contributors. Chemical bonding analyses of these three isomers show that they all feature 16 localized peripheral B–B σ-bonds. Additionally, isomer I possesses 16 delocalized σ bonds and nine delocalized π bonds, while isomers II and III each contain 17 delocalized σ bonds and eight delocalized π bonds. It is found that the hexagonal vacancy is associated generally with an increase of delocalized σ bonds at the expense of delocalized π bonds in 2D boron clusters. The hexagonal vacancy, characteristic of borophenes, is found to be a general structural feature for mid-sized boron clusters. The current study shows that B{sub 27}{sup −} is the first boron cluster, where a hexagonal vacancy appears among the low-lying isomers accessible experimentally.

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

Hall effect measurements on thermoelectric Ca{sub 3}Co{sub 4}O{sub 9}: On how to determine the charge carrier concentration in strongly correlated misfit cobaltites

The Hall coefficient R{sub H} and electrical conductivity of misfit calcium cobalt oxide (Ca{sub 2}CoO{sub 3−δ}){sub q}(CoO{sub 2}) (CCO) were measured at room temperature for different oxygen vacancy concentrations δ. Based on these and numerous previous results, it is shown that the charge carrier concentrations n obtained by the classical formula R{sub H} = 1/ne are between 3 and 6 × 10{sup 20} cm{sup −3} and thereby much lower than those derived by other experimental techniques and fail to explain the observed electric properties of CCO. We show that the experimental results are well described using an earlier proposed t–J-model for strongly correlated electrons on a triangular lattice. The hopping parameter t for CCO was found to be ≈ −20 K and the charge carrier concentration of fully oxidized CCO to be 5.7 × 10{sup 21} cm{sup −3} (0.41 hole type carriers per formula unit), in agreement with other experimental techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Synthesis of atomically thin hexagonal boron nitride films on nickel foils by molecular beam epitaxy

Hexagonal boron nitride (h-BN) is a layered two-dimensional material with properties that make it promising as a dielectric in various applications. We report the growth of h-BN films on Ni foils from elemental B and N using molecular beam epitaxy. The presence of crystalline h-BN over the entire substrate is confirmed by Raman spectroscopy. Atomic force microscopy is used to examine the morphology and continuity of the synthesized films. A scanning electron microscopy study of films obtained using shorter depositions offers insight into the nucleation and growth behavior of h-BN on the Ni substrate. The morphology of h-BN was found to evolve from dendritic, star-shaped islands to larger, smooth triangular ones with increasing growth temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Tunable configurational anisotropy in collective magnetization dynamics of Ni{sub 80}Fe{sub 20} nanodot arrays with varying dot shapes

We present broadband ferromagnetic resonance measurements of tunable spin wave anisotropy in arrays of nanodots with different dot shapes. Magnetization dynamics of the circular dot array shows two modes, while square, diamond, and triangular dot arrays show three, three, and four modes, respectively. Various distinct rotational symmetries in the configurational anisotropy of the nanodot arrays are observed with the variation of dot shape. The observed spin wave modes are reproduced by micromagnetic simulations and the calculated mode profiles show different collective modes determined by internal and stray magnetic fields. Effects of dot shapes are observed in combination with the effects of lattice symmetry and the shape of the boundary of the array. The collective behaviour is observed to be weakest in the diamond shaped dots and strongest in circular shaped dots. This is further confirmed by the stray field calculation. The large variation of spin wave mode frequencies and their configurational anisotropies with dot shapes are important for selection of suitable basis structures for future magnonic crystals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Epitaxial ZnO/LiNbO{sub 3}/ZnO stacked layer waveguide for application to thin-film Pockels sensors

We produced slab waveguides consisting of a LiNbO{sub 3} (LN) core layer that was sandwiched with Al-doped ZnO cladding layers. The ZnO/LN/ZnO stacked layers were grown on sapphire C-planes by electron cyclotron resonance (ECR) plasma sputtering and were subjected to structural, electrical, and optical characterizations. X-ray diffraction confirmed that the ZnO and LN layers were epitaxial without containing misoriented crystallites. The presence of 60°-rotational variants of ZnO and LN crystalline domains were identified from X-ray pole figures. Cross-sectional transmission electron microscopy images revealed a c-axis orientated columnar texture for LN crystals, which ensured operation as electro-optic sensors based on optical anisotropy along longitudinal and transversal directions. The interfacial roughness between the LN core and ZnO bottom layers as well as that between the ZnO top and the LN core layers was less than 20 nm, which agreed with surface images observed with atomic force microscopy. Outgrowth of triangular LN crystalline domains produced large roughness at the LN film surface. The RMS roughness of the LN film surface was twice that of the same structure grown on sapphire A-planes. Vertical optical transmittance of the stacked films was higher than 85% within the visible and infrared wavelength range. Following the approach adopted by Teng and Man [Appl. Phys. Lett. 56, 1734 (1990)], ac Pockels coefficients of r{sub 33} = 24-28 pm/V were derived for c-axis oriented LN films grown on low-resistive Si substrates. Light propagation within a ZnO/LN/ZnO slab waveguide as well as within a ZnO single layer waveguide was confirmed. The birefringence of these waveguides was 0.11 for the former and 0.05 for the latter.

36 MATERIALS SCIENCE↗
DOE OSTI2015

An InP/Si heterojunction photodiode fabricated by self-aligned corrugated epitaxial lateral overgrowth

An n-InP/p-Si heterojunction photodiode fabricated by corrugated epitaxial lateral overgrowth (CELOG) method is presented. N-InP/p-Si heterojunction has been achieved from a suitable pattern containing circular shaped openings in a triangular lattice on the InP seed layer on p-Si substrate and subsequent CELOG of completely coalesced n-InP. To avoid current path through the seed layer in the final photodiode, semi-insulating InP:Fe was grown with adequate thickness prior to n-InP growth in a low pressure hydride vapor phase epitaxy reactor. The n-InP/p-Si heterointerface was analyzed by scanning electron microscopy and Raman spectroscopy. Room temperature cross-sectional photoluminescence (PL) mapping illustrates the defect reduction effect in InP grown on Si by CELOG method. The InP PL intensity measured above the InP/Si heterojunction is comparable to that of InP grown on a native planar substrate indicating low interface defect density of CELOG InP despite of 8% lattice mismatch with Si. The processed n-InP/p-Si heterojunction photodiodes show diode characteristics from the current-voltage (I-V) measurements with a dark current density of 0.324 mA/cm{sup 2} at a reverse voltage of −1 V. Under the illumination of AM1.5 conditions, the InP/Si heterojunction photodiode exhibited photovoltaic effect with an open circuit voltage of 180 mV, a short circuit current density of 1.89 mA/cm{sup 2}, an external quantum efficiency of 4.3%, and an internal quantum efficiency of 6.4%. This demonstration of epitaxially grown InP/Si heterojunction photodiode will open the door for low cost and high efficiency solar cells and photonic integration of III-Vs on silicon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Understanding the stable boron clusters: A bond model and first-principles calculations based on high-throughput screening

The unique electronic property induced diversified structure of boron (B) cluster has attracted much interest from experimentalists and theorists. B{sub 30–40} were reported to be planar fragments of triangular lattice with proper concentrations of vacancies recently. Here, we have performed high-throughput screening for possible B clusters through the first-principles calculations, including various shapes and distributions of vacancies. As a result, we have determined the structures of B{sub n} clusters with n = 30–51 and found a stable planar cluster of B{sub 49} with a double-hexagon vacancy. Considering the 8-electron rule and the electron delocalization, a concise model for the distribution of the 2c–2e and 3c–2e bonds has been proposed to explain the stability of B planar clusters, as well as the reported B cages.

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

Suppression of metastable-phase inclusion in N-polar (0001{sup ¯}) InGaN/GaN multiple quantum wells grown by metalorganic vapor phase epitaxy

The metastable zincblende (ZB) phase in N-polar (0001{sup ¯}) (−c-plane) InGaN/GaN multiple quantum wells (MQWs) grown by metalorganic vapor phase epitaxy is elucidated by the electron backscatter diffraction measurements. From the comparison between the −c-plane and Ga-polar (0001) (+c-plane), the −c-plane MQWs were found to be suffered from the severe ZB-phase inclusion, while ZB-inclusion is negligible in the +c-plane MQWs grown under the same growth conditions. The ZB-phase inclusion is a hurdle for fabricating the −c-plane light-emitting diodes because the islands with a triangular shape appeared on a surface in the ZB-phase domains. To improve the purity of stable wurtzite (WZ)-phase, the optimum conditions were investigated. The ZB-phase is dramatically eliminated with decreasing the V/III ratio and increasing the growth temperature. To obtain much-higher-quality MQWs, the thinner InGaN wells and the hydrogen introduction during GaN barriers growth were tried. Consequently, MQWs with almost pure WZ phase and with atomically smooth surface have been demonstrated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Deep ultraviolet distributed Bragg reflectors based on graded composition AlGaN alloys

Distributed Bragg reflectors (DBRs) with peak reflectivity at approximately 280 nm, based on compositionally graded Al{sub x}Ga{sub 1−x}N alloys, were grown on 6H-SiC substrates by plasma-assisted molecular beam epitaxy. DBRs with square, sinusoidal, triangular, and sawtooth composition profiles were designed with the transfer matrix method. The crystal structure of these DBRs was studied with high-resolution x-ray diffraction of the (1{sup ¯}015) reciprocal lattice point. The periodicity of the DBR profiles was confirmed with cross-sectional Z-contrast scanning transmission electron microscopy. The peak reflectance of these DBRs with 15.5 periods varies from 77% to 56% with corresponding full width at half maximum of 17–14 nm. Coupled mode analysis was used to explain the dependence of the reflectivity characteristics on the profile of the graded composition.

36 MATERIALS SCIENCE↗
DOE OSTI2015

The elusive S{sub 2} state, the S{sub 1}/S{sub 2} splitting, and the excimer states of the benzene dimer

We observe the weak S{sub 0} → S{sub 2} transitions of the T-shaped benzene dimers (Bz){sub 2} and (Bz-d{sub 6}){sub 2} about 250 cm{sup −1} and 220 cm{sup −1} above their respective S{sub 0} → S{sub 1} electronic origins using two-color resonant two-photon ionization spectroscopy. Spin-component scaled (SCS) second-order approximate coupled-cluster (CC2) calculations predict that for the tipped T-shaped geometry, the S{sub 0} → S{sub 2} electronic oscillator strength f{sub el}(S{sub 2}) is ∼10 times smaller than f{sub el}(S{sub 1}) and the S{sub 2} state lies ∼240 cm{sup −1} above S{sub 1}, in excellent agreement with experiment. The S{sub 0} → S{sub 1} (ππ{sup ∗}) transition is mainly localized on the “stem” benzene, with a minor stem → cap charge-transfer contribution; the S{sub 0} → S{sub 2} transition is mainly localized on the “cap” benzene. The orbitals, electronic oscillator strengths f{sub el}(S{sub 1}) and f{sub el}(S{sub 2}), and transition frequencies depend strongly on the tipping angle ω between the two Bz moieties. The SCS-CC2 calculated S{sub 1} and S{sub 2} excitation energies at different T-shaped, stacked-parallel and parallel-displaced stationary points of the (Bz){sub 2} ground-state surface allow to construct approximate S{sub 1} and S{sub 2} potential energy surfaces and reveal their relation to the “excimer” states at the stacked-parallel geometry. The f{sub el}(S{sub 1}) and f{sub el}(S{sub 2}) transition dipole moments at the C{sub 2v}-symmetric T-shape, parallel-displaced and stacked-parallel geometries are either zero or ∼10 times smaller than at the tipped T-shaped geometry. This unusual property of the S{sub 0} → S{sub 1} and S{sub 0} → S{sub 2} transition-dipole moment surfaces of (Bz){sub 2} restricts its observation by electronic spectroscopy to the tipped and tilted T-shaped geometries; the other ground-state geometries are impossible or extremely difficult to observe. The S{sub 0} → S{sub 1}/S{sub 2} spectra of (Bz){sub 2} are compared to those of imidazole ⋅ (Bz){sub 2}, which has a rigid triangular structure with a tilted (Bz){sub 2} subunit. The S{sub 0} → S{sub 1}/ S{sub 2} transitions of imidazole-(benzene){sub 2} lie at similar energies as those of (Bz){sub 2}, confirming our assignment of the (Bz){sub 2} S{sub 0} → S{sub 2} transition.

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

Dual-band polarization-/angle-insensitive metamaterial absorber

A dual-band metamaterial absorber (MA) based on triangular resonators is designed and investigated in this paper. It is composed of a two-dimensional periodic metal-dielectric-metal sandwiches array on a dielectric substrate. The simulation results clearly show that this absorber has two absorption peaks at 14.9 and 18.9 GHz, respectively, and experiments are conducted to verify the proposed designs effectively. For each polarization, the dual-band absorber is insensitive to the incident angle (up to 60°) and the absorption peaks remain high for both transverse electric (TE) and transverse magnetic (TM) radiation. To study the physical mechanism of power loss, the current distribution at the dual absorption peaks is given. The MA proposed in this paper has potential applications in many scientific and martial fields.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Injection current dependences of electroluminescence transition energy in InGaN/GaN multiple quantum wells light emitting diodes under pulsed current conditions

Injection current dependences of electroluminescence transition energy in blue InGaN/GaN multiple quantum wells light emitting diodes (LEDs) with different quantum barrier thicknesses under pulsed current conditions have been analyzed taking into account the related effects including deformation caused by lattice strain, quantum confined Stark effects due to polarization field partly screened by carriers, band gap renormalization, Stokes-like shift due to compositional fluctuations which are supposed to be random alloy fluctuations in the sub-nanometer scale, band filling effect (Burstein-Moss shift), and quantum levels in finite triangular wells. The bandgap renormalization and band filling effect occurring at high concentrations oppose one another, however, the renormalization effect dominates in the concentration range studied, since the band filling effect arising from the filling in the tail states in the valence band of quantum wells is much smaller than the case in the bulk materials. In order to correlate the carrier densities with current densities, the nonradiative recombination rates were deduced experimentally by curve-fitting to the external quantum efficiencies. The transition energies in LEDs both with 15 nm quantum barriers and 5 nm quantum barriers, calculated using full strengths of theoretical macroscopic polarization given by Barnardini and Fiorentini [Phys. Status Solidi B 216, 391 (1999)] are in excellent accordance with experimental results. The LED with 5 nm barriers has been shown to exhibit a higher transition energy and a smaller blue shift than those of LED with 15 nm barriers, which is mainly caused by the smaller internal polarization field in the quantum wells.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Assessment of the accuracy of plasma shape reconstruction by the Cauchy condition surface method in JT-60SA

For the purpose of stable plasma equilibrium control and detailed analysis, it is essential to reconstruct an accurate plasma boundary on the poloidal cross section in tokamak devices. The Cauchy condition surface (CCS) method is a numerical approach for calculating the spatial distribution of the magnetic flux outside a hypothetical surface and reconstructing the plasma boundary from the magnetic measurements located outside the plasma. The accuracy of the plasma shape reconstruction has been assessed by comparing the CCS method and an equilibrium calculation in JT-60SA with a high elongation and triangularity of plasma shape. The CCS, on which both Dirichlet and Neumann conditions are unknown, is defined as a hypothetical surface located inside the real plasma region. The accuracy of the plasma shape reconstruction is sensitive to the CCS free parameters such as the number of unknown parameters and the shape in JT-60SA. It is found that the optimum number of unknown parameters and the size of the CCS that minimizes errors in the reconstructed plasma shape are in proportion to the plasma size. Furthermore, it is shown that the accuracy of the plasma shape reconstruction is greatly improved using the optimum number of unknown parameters and shape of the CCS, and the reachable reconstruction errors in plasma shape and locations of strike points are within the target ranges in JT-60SA.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗