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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 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Growth temperature effect on the structural and magnetic properties of Fe{sub 3}O{sub 4} films grown by the self-template method

We have investigated the effect of growth temperature on the structure, surface morphology, and magnetic properties of Fe{sub 3}O{sub 4} thin films grown on SrTiO{sub 3}(001) substrates by a self-template method. To eliminate the intermixing of (001) and (111) orientations that usually occurs in spinel films grown on perovskite substrates, a thin self-template layer of (001)-oriented Fe{sub 3}O{sub 4} was deposited on a SrTiO{sub 3}(001) substrate at 400 °C prior to the main film growth at temperatures of up to 1100 °C. Increasing the growth temperature from 400 °C to 1100 °C resulted in greatly improved crystallinity of the Fe{sub 3}O{sub 4} thin films, with the rocking curve width dropping from 1.41° to 0.28°. Surface analysis by atomic force microscopy showed that raising the growth temperature increased the grain size and the surface roughness, ultimately leading to the formation of regular nanopyramid arrays at 1100 °C. The surface roughening and pyramid formation are caused by the dominance of the lowest surface energy spinel (111) crystal facet. The nanopyramids were fully relaxed but still perfectly (001)-oriented in the out-of-plane direction. The largest pyramids had the lowest coercivity due to a reduction of the demagnetization effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The multifacet graphically contracted function method. I. Formulation and implementation

The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that both the energy and the gradient computation scale as O(N{sup 2}n{sup 4}) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N{sub 2} dissociation, cubic H{sub 8} dissociation, the symmetric dissociation of H{sub 2}O, and the insertion of Be into H{sub 2}. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

A low temperature nonlinear optical rotational anisotropy spectrometer for the determination of crystallographic and electronic symmetries

Nonlinear optical generation from a crystalline material can reveal the symmetries of both its lattice structure and underlying ordered electronic phases and can therefore be exploited as a complementary technique to diffraction based scattering probes. Although this technique has been successfully used to study the lattice and magnetic structures of systems such as semiconductor surfaces, multiferroic crystals, magnetic thin films, and multilayers, challenging technical requirements have prevented its application to the plethora of complex electronic phases found in strongly correlated electron systems. These requirements include an ability to probe small bulk single crystals at the μm length scale, a need for sensitivity to the entire nonlinear optical susceptibility tensor, oblique light incidence reflection geometry, and incident light frequency tunability among others. These measurements are further complicated by the need for extreme sample environments such as ultra low temperatures, high magnetic fields, or high pressures. In this review we present a novel experimental construction using a rotating light scattering plane that meets all the aforementioned requirements. We demonstrate the efficacy of our scheme by making symmetry measurements on a μm scale facet of a small bulk single crystal of Sr{sub 2}IrO{sub 4} using optical second and third harmonic generation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Solid-state dewetting of Au/Ni bilayers: The effect of alloying on morphology evolution

The solid-state dewetting of thin Au/Ni bilayers deposited onto SiO{sub 2}/Si substrates is investigated. A rapid thermal treatment is used to induce the dewetting process by an increase in temperature. The evolution of the (111) peaks of X-ray diffraction reveals a characteristic change due to mixing of Au and Ni. At low temperature, the Au-Ni thin film is found to break up at the phase boundaries and growing voids are shown to be surrounded by a Ni-rich phase. Branch-like void growth is observed. Upon annealing at increasing temperatures, Au-Ni solid solutions are formed well above the bulk equilibrium solubility of Au and Ni. It is found that this metastable phase formation makes the Au-Ni thin film less vulnerable to rupturing. Moreover, growth mode of still evolving voids changes into a more regular, faceted one due to alloying. Finally, it is shown that annealing above the miscibility gap forms supersaturated, well-oriented Au-Ni solid solution agglomerates via dewetting.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Tuning of deep level emission in highly oriented electrodeposited ZnO nanorods by post growth annealing treatments

Highly dense and c-axis oriented zinc oxide (ZnO) nanorods with hexagonal wurtzite facets were deposited on fluorine doped tin oxide coated glass substrates by a simple and cost-effective electrodeposition method at low bath temperature (80 °C). The as-grown samples were then annealed at various temperatures (T{sub A} = 100–500 °C) in different environments (e.g., zinc, oxygen, air, and vacuum) to understand their photoluminescence (PL) behavior in the ultra-violet (UV) and the visible regions. The PL results revealed that the as-deposited ZnO nanorods consisted of oxygen vacancy (V{sub O}), zinc interstitial (Zn{sub i}), and oxygen interstitial (O{sub i}) defects and these can be reduced significantly by annealing in different environments at optimal annealing temperatures. However, the intensity of deep level emission increased for T{sub A} greater than the optimized values for the respective environments due to the introduction of various defect centers. For example, for T{sub A} ≥ 450 °C in the oxygen and air environments, the density of O{sub i} defects increased, whereas, the green emission associated with V{sub O} is dominant in the vacuum annealed (T{sub A} = 500 °C) ZnO nanorods. The UV peak red shifted after the post-growth annealing treatments in all the environments and the vacuum annealed sample exhibited highest UV peak intensity. The observations from the PL data are supported by the micro-Raman spectroscopy. The present study gives new insight into the origin of different defects that exist in the electrodeposited ZnO nanorods and how these defects can be precisely controlled in order to get the desired emissions for the opto-electronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Narrow-band single photon emission at room temperature based on a single nitrogen-vacancy center coupled to an all-fiber-cavity

We report the realization of a device based on a single Nitrogen-Vacancy (NV) center in diamond coupled to a fiber-cavity for use as single photon source (SPS). The device consists of two concave mirrors each directly fabricated on the facets of two optical fibers and a preselected nanodiamond containing a single NV center deposited onto one of these mirrors. Both, cavity in- and out-put are directly fiber-coupled, and the emission wavelength is easily tunable by variation of the separation of the two mirrors with a piezo-electric crystal. By coupling to the cavity, we achieve an increase of the spectral photon rate density by two orders of magnitude compared to free-space emission of the NV center. With this work, we establish a simple all-fiber based SPS with promising prospects for the integration into photonic quantum networks.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Single mode terahertz quantum cascade amplifier

A terahertz (THz) optical amplifier based on a 2.9 THz quantum cascade laser (QCL) structure has been demonstrated. By depositing an antireflective coating on the QCL facet, the laser mirror losses are enhanced to fully suppress the lasing action, creating a THz quantum cascade (QC) amplifier. Terahertz radiation amplification has been obtained, by coupling a separate multi-mode THz QCL of the same active region design to the QC amplifier. A bare cavity gain is achieved and shows excellent agreement with the lasing spectrum from the original QCL without the antireflective coating. Furthermore, a maximum optical gain of ∼30 dB with single-mode radiation output is demonstrated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Regrowth-free single-mode quantum cascade lasers with power consumption below 1 W

We report on single-mode distributed-feedback quantum cascade lasers emitting at 4.8 μm with continuous-wave threshold power consumption as low as 0.76 W at 20 °C and 0.98 W at 50 °C. Following growth of the laser active region and semiconductor cladding layers by a single molecular beam epitaxy process, devices with 4-μm-wide ridges and vertical sidewall gratings were fabricated using plasma etching and standard dielectric and metal deposition processes. In terms of mode stability, output power, and efficiency, we show that lasers with 1-mm cavity length and high-reflectivity back-facet coatings can match the performance of buried heterostructure devices, but with the advantage of requiring only a single epitaxial growth step.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Electronic structures of GeSi nanoislands grown on pit-patterned Si(001) substrate

Patterning pit on Si(001) substrate prior to Ge deposition is an important approach to achieve GeSi nanoislands with high ordering and size uniformity. In present work, the electronic structures of realistic uncapped pyramid, dome, barn and cupola nanoislands grown in (105) pits are systematically investigated by solving Schrödinger equation for heavy-hole, which resorts to inhomogeneous strain distribution and nonlinear composition-dependent band parameters. Uniform, partitioned and equilibrium composition profile (CP) in nanoisland and inverted pyramid structure are simulated separately. We demonstrate the huge impact of composition profile on localization of heavy-hole: wave function of ground state is confined near pit facets for uniform CP, at bottom of nanoisland for partitioned CP and at top of nanoisland for equilibrium CP. Moreover, such localization is gradually compromised by the size effect as pit filling ratio or pit size decreases. The results pave the fundamental guideline of designing nanoislands on pit-patterned substrates for desired applications.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Roles of V-shaped pits on the improvement of quantum efficiency in InGaN/GaN multiple quantum well light-emitting diodes

The roles of V-shaped pits on the improvement of quantum efficiency in InGaN/GaN multiple quantum well (MQW) light-emitting diodes are investigated by numerical simulation. The simulation results show that V-shaped pits cannot only screen dislocations, but also play an important role on promoting hole injection into the MQWs. It is revealed that the injection of holes into the MQW via the sidewalls of the V-shaped pits is easier than via the flat region, due to the lower polarization charge densities in the sidewall structure with lower In concentration and (10–11)-oriented semi-polar facets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Characterization of the ETEL and HZC 3-inch PMTs for the KM3NeT project

The KM3NeT collaboration constructs a multi-cubic-kilometer scale neutrino telescope in the Mediterranean Sea. The telescope’s detection units, deployed in the deep sea, will be instrumented with facet like Digital Optical Modules (DOMs), each housing 31 three-inch photomultiplier tubes (PMTs) and readout electronics inside of 17-inch pressure resistant glass sphere. Two companies, ET Enterprises Ltd (ETEL) from UK and HZC from China developed new 3-inch PMTs to meet KM3NeT requirements. 126 PMTs of types D783KFLA, D792KFLA, and D793KFLA from ETEL and 7 PMTs of type XP53 from HZC have been delivered to KM3NeT and tested by the KM3NeT groups of NIKHEF-Amsterdam and ECAP-Erlangen. Tests have been performed to measure the main PMT parameters listed in the KM3NeT specifications, such as gain, transit time spread, dark rate, fraction of spurious pulses, and quantum efficiency. Methods and results are presented in this report.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Preferred orientations of laterally grown silicon films over amorphous substrates using the vapor–liquid–solid technique

A novel method has been optimized so that adhesion layers are no longer needed to reliably deposit patterned gold structures on amorphous substrates. Using this technique allows for the fabrication of amorphous oxide templates known as micro-crucibles, which confine a vapor–liquid–solid (VLS) catalyst of nominally pure gold to a specific geometry. Within these confined templates of amorphous materials, faceted silicon crystals have been grown laterally. The novel deposition technique, which enables the nominally pure gold catalyst, involves the undercutting of an initial chromium adhesion layer. Using electron backscatter diffraction it was found that silicon nucleated in these micro-crucibles were 30% single crystals, 45% potentially twinned crystals and 25% polycrystals for the experimental conditions used. Single, potentially twinned, and polycrystals all had an aversion to growth with the (1 0 0) surface parallel to the amorphous substrate. Closer analysis of grain boundaries of potentially twinned and polycrystalline samples revealed that the overwhelming majority of them were of the 60° Σ3 coherent twin boundary type. The large amount of coherent twin boundaries present in the grown, two-dimensional silicon crystals suggest that lateral VLS growth occurs very close to thermodynamic equilibrium. It is suggested that free energy fluctuations during growth or cooling, and impurities were the causes for this twinning.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Terahertz quantum well photodetectors with reflection-grating couplers

The design, fabrication, and characterization of terahertz (THz) quantum well photodetectors with one-dimensional reflection-grating coupler are presented. It is found that the reflection gratings could effectively couple the THz waves normally incident to the device. Compared with the 45-degree facet sample, the peak responsivity of this grating-coupled detector is enhanced by over 20%. The effects of the gratings on the photocurrent spectra are also analyzed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Monoxides of small terbium clusters: A density functional theory investigation

To investigate the effect of oxygen atom on the geometrical structures, electronic, and magnetic properties of small terbium clusters, we carried out the first-principles calculations on Tb{sub n}O (n = 1-14) clusters. The capping of an oxygen atom on one trigonal-facet of Tb{sub n} structures is always favored energetically, which can significantly improve the structural stability. The far-infrared vibrational spectroscopies are found to be different from those of corresponding bare clusters, providing a distinct signal to detect the characteristic structures of Tb{sub n}O clusters. The primary effect of oxygen atom on magnetic properties is to change the magnetic orderings among Tb atoms and to reduce small of local magnetic moments of the O-coordinated Tb atoms, both of which serve as the key reasons for the experimental magnetic evolution of an oscillating behavior. These calculations are consistent with, and help to account for, the experimentally observed magnetic properties of monoxide Tb{sub n}O clusters [C. N. Van Dijk et al., J. Appl. Phys. 107, 09B526 (2010)].

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Growing ordered and stable nanostructures on polyhedral nanocrystals

Using both theoretical analysis and phase field simulation, we reveal robust and facile self-assembly routes, which allow the growth of different stable and ordered nanostructures on various polyhedral nanocrystals (NCs) heteroepitaxially. Our studies show that by increasing the NC's size, transitions from formal growth to ordered quantum dots on the facets and further to ordered quantum dots on the corners take place. The predicted morphologies and their transitions are in excellent agreement with existing widely scattered experimental results. Our study presents a facile and potentially practical route for mass-producing hybrid NCs with well-defined size, shape, composition, and architecture.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

1.55-μm mode-locked quantum-dot lasers with 300 MHz frequency tuning range

Passive mode-locking of two-section quantum-dot mode-locked lasers grown by metalorganic vapor phase epitaxy on InP is reported. 1250-μm long lasers exhibit a wide tuning range of 300 MHz around the fundamental mode-locking frequency of 33.48 GHz. The frequency tuning is achieved by varying the reverse bias of the saturable absorber from 0 to −2.2 V and the gain section current from 90 to 280 mA. 3 dB optical spectra width of 6–7 nm leads to ex-facet optical pulses with full-width half-maximum down to 3.7 ps. Single-section quantum-dot mode-locked lasers show 0.8 ps broad optical pulses after external fiber-based compression. Injection current tuning from 70 to 300 mA leads to 30 MHz frequency tuning.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Doped GaN nanowires on diamond: Structural properties and charge carrier distribution

In this work, we present a detailed study on GaN nanowire doping, which is vital for device fabrication. The nanowires (NWs) are grown by means of molecular beam epitaxy on diamond (111) substrates. Dopant atoms are found to facilitate nucleation, thus an increasing NW density is observed for increasing dopant fluxes. While maintaining nanowire morphology, we demonstrate the incorporation of Si and Mg up to concentrations of 9× 10{sup 20}cm{sup −3} and 1 × 10{sup 20}cm{sup −3}, respectively. The dopant concentration in the nanowire cores is determined by the thermodynamic solubility limit, whereas excess dopants are found to segregate to the nanowire surface. The strain state of the NWs is investigated by X-ray diffraction, which confirms a negligible strain compared to planar thin films. Doping-related emissions are identified in low-temperature photoluminescence spectroscopy and the temperature quenching yields ionization energies of Si donors and Mg acceptors of 17 meV and 167 meV, respectively. At room temperature, luminescence and absorption spectra are found to coincide and the sub-band gap absorption is suppressed in n-type NWs. The charge carrier distribution in doped GaN nanowires is simulated under consideration of surface states at the non-polar side facets. For doping concentrations below 10{sup 17}cm{sup −3}, the nanowires are depleted of charge carriers, whereas they become highly conductive above 10{sup 19}cm{sup −3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Fabrication and optical properties of multishell InAs quantum dots on GaAs nanowires

Hybrid nanostructures combining nanowires with quantum dots promote the development of nanoelectronic and nanophotonic devices with integrated functionalities. In this work, we present a complex nanostructure with multishell quantum dots grown on nanowires. 1–4 shells of Stranski-Krastanov InAs quantum dots are grown on the sidewalls of GaAs nanowires by metal organic chemical vapor deposition. Different dot shells are separated by 8 nm GaAs spacer shells. With increasing the number of shells, the quantum dots become sparser and tend to align in one array, which is caused by the shrinkage of facets on which dots prefer to grow as well as the strain fields produced by the lower set of dots which influences the migration of In adatoms. The size of quantum dots increases with the increase of shell number due to enhanced strain fields coupling. The spectra of multishell dots exhibit multiwavelength emission, and each peak corresponds to a dot shell. This hybrid structure may serve as a promising element in nanowire intermediate band solar cells, infrared nanolasers, and photodetectors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗