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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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Photoelectron spectroscopic study of band alignment of polymer/ZnO photovoltaic device structure

Using x-ray photoelectron spectroscopy, we investigated the band alignment of a Ag/poly(3-hexylthiophene-2,5-diyl) (P3HT)/ZnO photovoltaic structure. At the P3HT/ZnO interface, a band bending of P3HT and a short surface depletion layer of ZnO were observed. The offset between the highest occupied molecular orbital of P3HT and the conduction band minimum of ZnO at the interface contributed to the open circuit voltage (Voc) was estimated to be approximately 1.5 {+-} 0.1 eV, which was bigger than that of the electrically measured effective Voc of P3HT/ZnO photovoltaic devices, meaning that the P3HT/ZnO photovoltaic structure has the potential to provide improved photovoltaic properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Enrichment of magnetic alignment stimulated by {gamma}-radiation in core-shell type nanoparticle Mn-Zn ferrite

Core shell type nanoparticle Mn{sub x}Zn{sub 1-x}Fe{sub 2}O{sub 4} systems with x=0.55, 0.65 and 0.75 were prepared using autocombustion method. The systems were characterized using tools like XRD and IR for structure confirmation. Magnetic parameter measurements like Saturation magnetization and coercivity were obtained from hysteresis loop which exhibited a symmetry shift due to core shell nature of the nanoparticles. Nanoparticles of particle size between 21.2nm to 25.7nm were found to show 20 percent shrinkage after being radiated by the {gamma}-radiation. This is due to variation in the cation distribution which also affects the cell volume of the cubic cell. Lattice constant reduction observed is reflected in the magnetic properties of the samples. A considerable hike in the saturation magnetization of the samples was observed due to enrichment of magnetic alignment in the magnetic core of the particles. Samples under investigation were irradiated with gamma radiation from Co{sup 60} source for different time intervals.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Magnetotransport properties of quasi-one-dimensionally channeled vertically aligned heteroepitaxial nanomazes

A unique quasi-one-dimensionally channeled nanomaze structure has been self-assembled in the (La{sub 0.7}Sr{sub 0.3}MnO{sub 3}){sub 1−x}:(ZnO){sub x} vertically aligned nanocomposites (VANs). Significantly enhanced magnetotransport properties have been achieved by tuning the ZnO composition x. The heteroepitaxial VAN thin films, free of large angle grain boundaries, exhibit a maximum low-field magnetoresistance (LFMR) of 75% (20 K and 1 T). The enhanced LFMR close to the percolation threshold is attributed to the spin-polarized tunneling through the ferromagnetic/insulating/ferromagnetic vertical sandwiches in the nanomazes. This study suggests that the phase boundary in the nanomaze structure is an alternative approach to produce decoupled ferromagnetic domains and thus to achieve enhanced magnetoresistance.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

Energy band alignment of atomic layer deposited HfO{sub 2} oxide film on epitaxial (100)Ge, (110)Ge, and (111)Ge layers

Crystallographically oriented epitaxial Ge layers were grown on (100), (110), and (111)A GaAs substrates by in situ growth process using two separate molecular beam epitaxy chambers. The band alignment properties of atomic layer hafnium oxide (HfO{sub 2}) film deposited on crystallographically oriented epitaxial Ge were investigated using x-ray photoelectron spectroscopy (XPS). Valence band offset, {Delta}E{sub v} values of HfO{sub 2} relative to (100)Ge, (110)Ge, and (111)Ge orientations were 2.8 eV, 2.28 eV, and 2.5 eV, respectively. Using XPS data, variation in valence band offset, {Delta}E{sub V}(100)Ge>{Delta}E{sub V}(111)Ge>{Delta}E{sub V}(110)Ge, was obtained related to Ge orientation. Also, the conduction band offset, {Delta}E{sub c} relation, {Delta}E{sub c}(110)Ge>{Delta}E{sub c}(111)Ge>{Delta}E{sub c}(100)Ge related to Ge orientations was obtained using the measured bandgap of HfO{sub 2} on each orientation and with the Ge bandgap of 0.67 eV. These band offset parameters for carrier confinement would offer an important guidance to design Ge-based p- and n-channel metal-oxide field-effect transistor for low-power application.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Interfacial chemical bonding state and band alignment of CaF{sub 2}/hydrogen-terminated diamond heterojunction

CaF{sub 2} films are deposited on hydrogen-terminated diamond (H-diamond) by a radio-frequency sputter-deposition technique at room temperature. Interfacial chemical bonding state and band alignment of CaF{sub 2}/H-diamond heterojunction are investigated by X-ray photoelectron spectroscopy. It is confirmed that there are only C-Ca bonds at the CaF{sub 2}/H-diamond heterointerface. Valence and conductance band offsets of the CaF{sub 2}/H-diamond heterojunciton are determined to be 3.7 {+-} 0.2 and 0.3 {+-} 0.2 eV, respectively. It shows a type I straddling band configuration. The large valence band offset suggests advantage of the CaF{sub 2}/H-diamond heterojunciton for the development of high power and high frequency field effect transistors.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Structural and band alignment properties of Al{sub 2}O{sub 3} on epitaxial Ge grown on (100), (110), and (111)A GaAs substrates by molecular beam epitaxy

Structural and band alignment properties of atomic layer Al{sub 2}O{sub 3} oxide film deposited on crystallographically oriented epitaxial Ge grown in-situ on (100), (110), and (111)A GaAs substrates using two separate molecular beam epitaxy chambers were investigated using cross-sectional transmission microscopy (TEM) and x-ray photoelectron spectroscopy (XPS). High-resolution triple axis x-ray measurement demonstrated pseudomorphic and high-quality Ge epitaxial layer on crystallographically oriented GaAs substrates. The cross-sectional TEM exhibited a sharp interface between the Ge epilayer and each orientation of the GaAs substrate as well as the Al{sub 2}O{sub 3} film and the Ge epilayer. The extracted valence band offset, {Delta}E{sub v}, values of Al{sub 2}O{sub 3} relative to (100), (110), and (111) Ge orientations using XPS measurement were 3.17 eV, 3.34 eV, and 3.10 eV, respectively. Using XPS data, variations in {Delta}E{sub v} related to the crystallographic orientation were {Delta}E{sub V}(110)Ge>{Delta}E{sub V}(100)Ge{>=}{Delta}E{sub V}(111)Ge and the conduction band offset, {Delta}E{sub c}, related to the crystallographic orientation was {Delta}E{sub c}(111)Ge>{Delta}E{sub c}(110)Ge>{Delta}E{sub c}(100)Ge using the measured {Delta}E{sub v}, bandgap of Al{sub 2}O{sub 3} in each orientation, and well-known Ge bandgap of 0.67 eV. These band offset parameters are important for future application of Ge-based p- and n-channel metal-oxide field-effect transistor design.

36 MATERIALS SCIENCE↗
DOE OSTI2013

In situ focus characterization by ablation technique to enable optics alignment at an XUV FEL source

In situ focus characterization is demonstrated by working at an extreme ultraviolet (XUV) free-electron laser source using ablation technique. Design of the instrument reported here allows reaching a few micrometres resolution along with keeping the ultrahigh vacuum conditions and ensures high-contrast visibility of ablative imprints on optically transparent samples, e.g., PMMA. This enables on-line monitoring of the beam profile changes and thus makes possible in situ alignment of the XUV focusing optics. A good agreement between focal characterizations retrieved from in situ inspection of ablative imprints contours and from well-established accurate ex situ analysis with Nomarski microscope has been observed for a typical micro-focus experiment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Quasi-zero lattice mismatch and band alignment of BaTiO{sub 3} on epitaxial (110)Ge

Growth, structural, and band alignment properties of pulsed laser deposited amorphous BaTiO{sub 3} on epitaxial molecular beam epitaxy grown (110)Ge layer, as well as their utilization in low power transistor are reported. High-resolution x-ray diffraction demonstrated quasi-zero lattice mismatch of BaTiO{sub 3} on (110)Ge. Cross-sectional transmission electron microscopy micrograph confirms the amorphous nature of BaTiO{sub 3} layer as well as shows a sharp heterointerface between BaTiO{sub 3} and Ge with no traceable interfacial layer. The valence band offset, {Delta}E{sub v}, of 1.99 {+-} 0.05 eV at the BaTiO{sub 3}/(110)Ge heterointerface is measured using x-ray photoelectron spectroscopy. The conduction band offset, {Delta}E{sub c}, of 1.14 {+-} 0.1 eV is calculated using the bandgap energies of BaTiO{sub 3} of 3.8 eV and Ge of 0.67 eV. These band offset parameters for carrier confinement and the interface chemical properties of the BaTiO{sub 3}/(110)Ge system are significant advancement towards designing Ge-based p-and n-channel metal-oxide semiconductor field-effect transistors for low-power application.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Direct and alignment-insensitive measurement of cantilever curvature

We analytically derive and experimentally demonstrate a method for the simultaneous measurement of deflection for large arrays of cantilevers. The Fresnel diffraction patterns of a cantilever independently reveal tilt, curvature, cubic, and higher order bending of the cantilever. It provides a calibrated absolute measurement of the polynomial coefficients describing the cantilever shape, without careful alignment and could be applied to several cantilevers simultaneously with no added complexity. We show that the method is easily implemented, works in both liquid media and in air, for a broad range of displacements and is especially suited to the requirements for multi-marker biosensors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Auger recombination suppression and band alignment in GaAsBi/GaAs heterostructures

Using a combination of experimental and theoretical techniques we present the dependence of the bandgap E{sub g} and the spin orbit splitting energy Δ{sub so}, with Bi concentration in GaAsBi/GaAs samples. We find that the concentration at which Δ{sub so},> E{sub g} occurs at 9%. Both spectroscopic as well as first device results indicate a type I alignment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

High-performance self-aligned inversion-channel In{sub 0.53}Ga{sub 0.47}As metal-oxide-semiconductor field-effect-transistors by in-situ atomic-layer-deposited HfO{sub 2}

Self-aligned inversion-channel In{sub 0.53}Ga{sub 0.47}As metal-oxide-semiconductor field-effect-transistors (MOSFETs) have been fabricated using the gate dielectrics of in-situ directly atomic-layer-deposited (ALD) HfO{sub 2} followed by ALD-Al{sub 2}O{sub 3}. There were no surface pretreatments and no interfacial passivation/barrier layers prior to the ALD. TiN/Al{sub 2}O{sub 3} (4 nm)/HfO{sub 2} (1 nm)/In{sub 0.53}Ga{sub 0.47}As/InP MOS capacitors exhibited well-behaved capacitance-voltage characteristics with true inversion behavior, low leakage current densities of ∼10{sup −8} A/cm{sup 2} at ±1 MV/cm, and thermodynamic stability at high temperatures. Al{sub 2}O{sub 3} (3 nm)/HfO{sub 2} (1 nm)/In{sub 0.53}Ga{sub 0.47}As MOSFETs of 1 μm gate length, with 700 °C–800 °C rapid thermal annealing in source/drain activation, have exhibited high extrinsic drain current (I{sub D}) of 1.5 mA/μm, transconductance (G{sub m}) of 0.84 mS/μm, I{sub ON}/I{sub OFF} of ∼10{sup 4}, low sub-threshold swing of 103 mV/decade, and field-effect electron mobility of 1100 cm{sup 2}/V · s. The devices have also achieved very high intrinsic I{sub D} and G{sub m} of 2 mA/μm and 1.2 mS/μm, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

On the valve nature of a monolayer of aligned molecular magnets in tunneling spin-polarized electrons: Towards organic molecular spintronics

We form a monolayer of magnetic organic molecules and immobilize their moments pointing either upwards or downwards with respect to the substrate through an electrostatic-binding process. Such a monolayer is probed with a scanning tunneling microscope tip, which is also magnetized with the magnetization vector pointing towards (or away from) apex of the tip. From spin-polarized tunneling current, we show that the current was higher when magnetization vectors of the tip and molecules were parallel as compared to that when they were anti-parallel. We show that for tunneling of spin-polarized electrons, aligned organic molecular magnets can act as a valve.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Effect of band alignment on photoluminescence and carrier escape from InP surface quantum dots grown by metalorganic chemical vapor deposition on Si

A detailed analysis of photoluminescence (PL) from InP quantum dots (QDs) grown on Si has been carried out to understand the effect of substrate/host material in the luminescence and carrier escape process from the surface quantum dots. Such studies are required for the development of monolithically integrated next generation III-V QD based optoelectronics with fully developed Si microelectronics. The samples were grown by atmospheric pressure metalorganic chemical vapor deposition technique, and the PL measurements were made in the temperature range 10–80 K. The distribution of the dot diameter as well as the dot height has been investigated from atomic force microscopy. The origin of the photoluminescence has been explained theoretically. The band alignment of InP/Si heterostructure has been determined, and it is found be type II in nature. The positions of the conduction band minimum of Si and the 1st excited state in the conduction band of InP QDs have been estimated to understand the carrier escape phenomenon. A blue shift with a temperature co-efficient of 0.19 meV/K of the PL emission peak has been found as a result of competitive effect of different physical processes like quantum confinement, strain, and surface states. The corresponding effect of blue shift by quantum confinement and strain as well as the red shift by the surface states in the PL peaks has been studied. The origin of the luminescence in this heterojunction is found to be due to the recombination of free excitons, bound excitons, and a transition from the 1st electron excited state in the conduction band (e{sub 1}) to the heavy hole band (hh{sub 1}). Monotonic decrease in the PL intensity due to increase of thermally escaped carriers with temperature has been observed. The change in barrier height by the photogenerated electric-field enhanced the capture of the carriers by the surface states rather than their accumulation in the QD excited state. From an analysis of the dependence of the PL intensity, peak position, and line width with temperature and excitation source, the existence of free and bound excitonic recombination together with e{sub 1} → hh{sub 1} transitions in the QDs is established.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Diameter-selective alignment of carbon nanotubes on Si(001) stepped surfaces

We report total-energy electronic-structure calculations based on the density-functional theory that provide stable adsorption sites, structural characteristics, and energy bands of carbon nanotubes (CNTs) adsorbed on the Si(001) stepped surfaces. We choose (5,5), (9,9), and (13,13) armchair CNTs with the diameters of 6.8 Å, 12.2 Å, and 17.6 Å, respectively, as representatives of CNTs and explore all the possible adsorption sites either on the terrace or at step edges. We find that the (9,9) CNT is most favorably adsorbed at the edge of the double-layer step D{sub B} along the 〈110〉 direction, whereas the (5,5) and (13,13) CNTs favor the terrace site where the CNTs are perpendicular to the Si dimer rows. This finding is indicative of the diameter-selective self-organized alignment of CNTs by exploiting the Si surface steps along the particular direction. We also find that the electronic structure of each CNT is modified upon adsorption depending on the adsorption site and the diameter of the CNTs. In particular, the (9,9) CNT at the most stable step edge site becomes semiconducting and the resultant valence and conduction bands exhibit nearly linear dispersion with the effective mass of 0.085 m{sub 0} (m{sub 0}: bare electron mass), preserving the characteristics of the Dirac electrons. We also find that the flat bands appear near the Fermi level (E{sub F}) when the (13,13) CNT is adsorbed at the metastable D{sub B} step edge, inferring that spin polarization is possible for the CNT on the Si(001) stepped surface.

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

Raman spectra of aligned carbon micro-coils and their impedance characteristics under loads

Scanning and transmission electron microscopy were used to characterize the morphology of the carbon microcoils (CMCs). The Raman spectra showed that CMCs had local regular structure as I{sub D}/I{sub G} = 0.841. Then, aligned CMCs/silicone–rubber composites (5 × 5 × 1 mm{sup 3}) were fabricated by coating of silicone rubber on the CMCs. Their alternating current impedance characteristics were measured as a function of applied load and the pressure sensitivity was discussed. The results showed that the impedance decreased as the increasing applied load, and the sample with less CMCs owned high pressure sensitivity, which indicated a novel composite film could act as an alternative of tactile sensor.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Enhanced photoelectrochemical activity of vertically aligned ZnO-coated TiO{sub 2} nanotubes

Vertically aligned ZnO-TiO{sub 2} hetero-nanostructures constructed of anatase TiO{sub 2} nanotubes (NTs) and wurtzite ZnO coatings are fabricated by atomic layer deposition of ZnO coatings on electrochemical anodization formed TiO{sub 2} NTs, and their photoelectrochemical activities are studied through photoelectrochemical and electrochemical characterization. Compared with bare TiO{sub 2} NTs, the transient photocurrent increases to over 1.5-fold for the annealed ZnO-coated TiO{sub 2} NTs under visible illumination. The ZnO-coated TiO{sub 2} NTs also show a longer electron lifetime, a lower charge-transfer resistance and a more negative flat-band potential than the bare TiO{sub 2} NTs, confirming the improved photoelectrochemical activity due to the enhanced charge separation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Strain relaxation and enhanced perpendicular magnetic anisotropy in BiFeO{sub 3}:CoFe{sub 2}O{sub 4} vertically aligned nanocomposite thin films

Self-assembled BiFeO{sub 3}:CoFe{sub 2}O{sub 4} (BFO:CFO) vertically aligned nanocomposite thin films have been fabricated on SrTiO{sub 3} (001) substrates using pulsed laser deposition. The strain relaxation mechanism between BFO and CFO with a large lattice mismatch has been studied by X-ray diffraction and transmission electron microscopy. The as-prepared nanocomposite films exhibit enhanced perpendicular magnetic anisotropy as the BFO composition increases. Different anisotropy sources have been investigated, suggesting that spin-flop coupling between antiferromagnetic BFO and ferrimagnetic CFO plays a dominant role in enhancing the uniaxial magnetic anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Topology of surfaces for molecular Stark energy, alignment, and orientation generated by combined permanent and induced electric dipole interactions

We show that combined permanent and induced electric dipole interactions of linear polar and polarizable molecules with collinear electric fields lead to a sui generis topology of the corresponding Stark energy surfaces and of other observables – such as alignment and orientation cosines – in the plane spanned by the permanent and induced dipole interaction parameters. We find that the loci of the intersections of the surfaces can be traced analytically and that the eigenstates as well as the number of their intersections can be characterized by a single integer index. The value of the index, distinctive for a particular ratio of the interaction parameters, brings out a close kinship with the eigenproperties obtained previously for a class of Stark states via the apparatus of supersymmetric quantum mechanics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗