Search NASA⌕ Search

SEARCH · Search NASA

Results for “Electronic properties”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 73 records · Page 4

General contraction of Gaussian basis sets. Part 2: Atomic natural orbitals and the calculation of atomic and molecular properties

A recently proposed scheme for using natural orbitals from atomic configuration interaction (CI) wave functions as a basis set for linear combination of atomic orbitals (LCAO) calculations is extended for the calculation of molecular properties. For one-electron properties like multipole moments, which are determined largely by the outermost regions of the molecular wave function, it is necessary to increase the flexibility of the basis in these regions. This is most easily done by uncontracting the outmost Gaussian primitives, and/or by adding diffuse primitives. A similar approach can be employed for the calculation of polarizabilities. Properties which are not dominated by the long-range part of the wave function, such as spectroscopic constants or electric field gradients at the nucleus, can generally be treated satisfactorily with the original atomic natural orbital (ANO) sets.

Almloef, Jan↗

General contraction of Gaussian basis sets. II - Atomic natural orbitals and the calculation of atomic and molecular properties

A recently proposed scheme for using natural orbitals from atomic configuration interaction wave functions as a basis set for linear combination of atomic orbitals (LCAO) calculations is extended for the calculation of molecular properties. For one-electron properties like multipole moments, which are determined largely by the outermost regions of the molecular wave function, it is necessary to increase the flexibility of the basis in these regions. This is most easily done by uncontracting the outermost Gaussian primitives, and/or by adding diffuse primitives. A similar approach can be employed for the calculation of polarizabilities. Properties which are not dominated by the long-range part of the wave function, such as spectroscopic constants or electric field gradients at the nucleus, can generally be treated satisfactorily with the original atomic natural orbital sets.

Almlof, Jan↗

Boron Nitride Nanotubes for Engineering Applications

Boron nitride nanotubes (BNNT) are of significant interest to the scientific and technical communities for many of the same reasons that carbon nanotubes (CNT) have attracted wide attention. Both materials have potentially unique and important properties for structural and electronic applications. However of even more consequence than their similarities may be the complementary differences between carbon and boron nitride nanotubes While BNNT possess a very high modulus similar to CNT, they also possess superior chemical and thermal stability. Additionally, BNNT have more uniform electronic properties, with a uniform band gap of 5.5 eV while CNT vary from semi-conductive to highly conductive behavior. Boron nitride nanotubes have been synthesized both in the literature and at NASA Glenn Research Center, by a variety of methods such as chemical vapor deposition, arc discharge and reactive milling. Consistent large scale production of a reliable product has proven difficult. Progress in the reproducible synthesis of 1-2 gram sized batches of boron nitride nanotubes will be discussed as well as potential uses for this unique material.

Hurst, Janet↗

Nonstoichiometric defects in GaAs and the EL2 bandwagon

In the present paper, an attempt is made to formulate a common framework for a discussion of nonstoichiometric defects, especially EL2 and dislocations. An outline is provided of the most important settled and unsettled issues, taking into account not only fundamental interests, but also urgent needs in advancing IC technology. Attention is given to stoichiometry-controlled compensation, the expected role of melt stoichiometry in electrical conductivity for the basic atomic disorders, defect equilibria-dislocations and EL2, and current issues pertaining to the identification of EL2. It is concluded that nonstoichiometric defects play a critical role in the electronic properties of GaAs and its electronic applications. Very significant progress has been recently made in learning how to adjust melt stoichiometry in order to maximize its beneficial effects and minimize its detrimental ones.

Lagowski, J.↗

Electronic and Mechanical Properties of Hydrogen Functionalized Carbon Nanotubes

We examined the electronic and mechanical properties of hydrogen functionalized carbon nanotubes. The functionalization pattern covers two extreme groups. One group has randomly selected functionalization sites including one to twenty percent of the carbon atoms. The other group has regularly patterned functional sites parallel to the tube axis. Metallic, small-gap semiconducting and large-gap semiconducting carbon nanotubes are studied. The results reveal that the electronic properties of the tubes are very sensitive to the degree of functionalization, with even one percent functionalization being enough to render metallic tubes semiconducting. On the other hand, the mechanical properties, like tensile modulus, are much less sensitive to functionalization. For carbon nanotubes functionalized with specific patterns, the electric properties depends strongly on the nature of the functionalization pattern.

Yang, Liu↗

Electron-radiation effects on the ac and dc electrical properties and unpaired electron densities of three aerospace polymers

The effects of gigarad-level total absorbed doses from 1-MeV electrons on the post-irradiation alternating-current (ac) and direct-current (dc) electrical properties and the unpaired electron densities have been studied for Kapton, Ultem, and Mylar. The unpaired electron densities (determined from electron paramagnetic resonance spectroscopy) and the dc electrical conductivities of the irradiated materials were monitored as functions of time following the exposures to determine their decay characteristics at room temperature. The elevated-temperature ac electrical dissipations of the Ultem and Mylar were affected by the radiation. The dc conductivity of the Kapton increased by five orders of magnitude, while the dc conductivities of the Ultem and Mylar increased by less than an order of magnitude, due to the radiation. The observed radiation-generated changes in the ac electrical dissipations are explained in terms of known radiation-generated changes in the molecular structures of the three materials. A preliminary model relating the dc electrical conductivity and the unpaired electron density in the Kapton is proposed.

Long, Sheila Ann T.↗

Synthesis of Boron Nitride Nanotubes for Engineering Applications

Boron Nitride nanotubes (BNNT) are of interest to the scientific and technical communities for many of the same reasons that carbon nanotubes (CNT) have attracted large amounts of attention. Both materials have potentially unique and significant properties which may have important structural and electronic applications in the future. However of even more interest than their similarities may be the differences between carbon and boron nanotubes. Whilt boron nitride nanotubes possess a very high modulus similaar to CNT, they are also more chemically and thermally inert. Additionally BNNT possess more uniform electronic properties, having a uniform band gap of approximately 5.5 eV while CNT vary from semi-conductin to conductor behavior. Boron Nitride nanotubes have been synthesized by a variety of methods such as chemical vapor deposition, arc discharge and reactive milling. Consistently producing a reliable product has proven difficult. Progress in synthesis of 1-2 gram sized batches of Boron Nitride nanotubes will be discussed as well as potential uses for this unique material.

Hurst, Janet↗

MEMS Applications in Aerodynamic Measurement Technology

Microelectromechanical systems (MEMS) embodies the integration of sensors, actuators, and electronics on a single substrate using integrated circuit fabrication techniques and compatible bulk and surface micromachining processes. Silicon and its derivatives form the material base for the MEMS technology. MEMS devices, including microsensors and microactuators, are attractive because they can be made small (characteristic dimension about 100 microns), be produced in large numbers with uniform performance, include electronics for high performance and sophisticated functionality, and be inexpensive. For aerodynamic measurements, it is preferred that sensors be small so as to approximate measurement at a point, and in fact, MEMS pressure sensors, wall shear-stress sensors, heat flux sensors and micromachined hot wires are nearing application. For the envisioned application to wind tunnel models, MEMS sensors can be placed on the surface or in very shallow grooves. MEMS devices have often been fabricated on stiff, flat silicon substrates, about 0.5 mm thick, and therefore were not easily mounted on curved surfaces. However, flexible substrates are now available and heat-flux sensor arrays have been wrapped around a curved turbine blade. Electrical leads can also be built into the flexible substrate. Thus MEMS instrumented wind tunnel models do not require deep spanwise grooves for tubes and leads that compromise the strength of conventionally instrumented models. With MEMS, even the electrical leads can potentially be eliminated if telemetry of the signals to an appropriate receiver can be implemented. While semiconductor silicon is well known for its electronic properties, it is also an excellent mechanical material for MEMS applications. However, silicon electronics are limited to operations below about 200 C, and silicon's mechanical properties start to diminish above 400 C. In recent years, silicon carbide (SiC) has emerged as the leading material candidate for applications in high temperature environments and can be used for high-temperature MEMS applications. With SiC, diodes and more complex electronics have been shown to operate to about 600 C, while the mechanical properties of SiC are maintained to much higher temperatures. Even when MEMS devices show benefits in the laboratory, there are many packaging challenges for any aeronautics application. Incorporating MEMS into these applications requires new approaches to packaging that goes beyond traditional integrated circuit (IC) packaging technologies. MEMS must interact mechanically, as well as electrically with their environment, making most traditional chip packaging and mounting techniques inadequate. Wind tunnels operate over wide temperature ranges in an environment that is far from being a 'clean-room.' In flight, aircraft are exposed to natural elements (e.g. rain, sun, ice, insects and dirt) and operational interferences(e.g. cleaning and deicing fluids, and maintenance crews). In propulsion systems applications, MEMS devices will have to operate in environments containing gases with very high temperatures, abrasive particles and combustion products. Hence deployment and packaging that maintains the integrity of the MEMS system is crucial. This paper presents an overview of MEMS fabrication and materials, descriptions of available sensors with more details on those being developed in our laboratories, and a discussion of sensor deployment options for wind tunnel and flight applications.

Reshotko, E.↗

Plasma CVD of Carbon Nanotubes

Carbon nanotubes(CNT) exhibit remarkable mechanical and unique electronic properties and thus have created excitement in the research community about their potential in electronics, computing, sensor and structural applications. Realization of these applications critically depends on the ability to control the properties(such as diameter, chirality) as well purity. We have investigated CNT growth using an inductively coupled plasma(ICP) process using hydrocarbon feedstock. The catalyst required for nanotube growth consists of thin sputtered layers of aluminum and iron(10 nm each) and aligned carbon nanotubes have been obtained. Optical emission diagnostics as well as a plasma modeling effort have been undertaken to understand growth mechanisms. This presentation will discuss growth characteristics under various pressure, power and feedgas compositions and our understanding from modeling and diagnostics.

Delzeit, Lance↗

Characterizing Surfaces of the Wide Bandgap Semiconductor Ilmenite with Scanning Probe Microcopies

Ilmenite (FeTiO3) is a wide bandgap semiconductor with an energy gap of about 2.5eV. Initial radiation studies indicate that ilmenite has properties suited for radiation tolerant applications, as well as a variety of other electronic applications. Two scanning probe microscopy methods have been used to characterize the surface of samples taken from Czochralski grown single crystals. The two methods, atomic force microscopy (AFM) and scanning tunneling microscopy (STM), are based on different physical principles and therefore provide different information about the samples. AFM provides a direct, three-dimensional image of the surface of the samples, while STM give a convolution of topographic and electronic properties of the surface. We will discuss the differences between the methods and present preliminary data of each method for ilmenite samples.

Wilkins, R.↗

Oxygen in GaAs - Direct and indirect effects

Oxygen has profound effects on the key electronic properties and point defects of GaAs crystals. Thus, when added in the growth system, it decreases the free electron concentration and enhances the concentration of deep donors in the resulting crystals. Both of these effects are highly beneficial for achieving semi-insulating material and have been utilized for that purpose. They have been attributed to the tendency of oxygen to getter silicon impurities during crystal growth. Only recently, it has been found that oxygen in GaAs introduces also a midgap level, ELO, with essentially the same activation energy as EL2 but with four times greater electron capture cross section. The present report reassesses the electrical and optical properties of the midgap levels in GaAs crystals grown by the horizontal Bridgman (HB) and the Czochralski-LEC techniques. Emphasis is placed on the identification of the specific effects of ELO.

Gatos, H. C.↗

Analysis of boron carbides' electronic structure

The electronic properties of boron-rich icosahedral clusters were studied as a means of understanding the electronic structure of the icosahedral borides such as boron carbide. A lower bound was estimated on bipolaron formation energies in B12 and B11C icosahedra, and the associated distortions. While the magnitude of the distortion associated with bipolaron formation is similar in both cases, the calculated formation energies differ greatly, formation being much more favorable on B11C icosahedra. The stable positions of a divalent atom relative to an icosahedral borane was also investigated, with the result that a stable energy minimum was found when the atom is at the center of the borane, internal to the B12 cage. If incorporation of dopant atoms into B12 cages in icosahedral boride solids is feasible, novel materials might result. In addition, the normal modes of a B12H12 cluster, of the C2B10 cage in para-carborane, and of a B12 icosahedron of reduced (D sub 3d) symmetry, such as is found in the icosahedral borides, were calculated. The nature of these vibrational modes will be important in determining, for instance, the character of the electron-lattice coupling in the borides, and in analyzing the lattice contribution to the thermal conductivity.

Howard, Iris A.↗

Silicon Carbide Sensors and Electronics for Harsh Environment Applications

Silicon carbide (SiC) semiconductor has been studied for electronic and sensing applications in extreme environment (high temperature, extreme vibration, harsh chemical media, and high radiation) that is beyond the capability of conventional semiconductors such as silicon. This is due to its near inert chemistry, superior thermomechanical and electronic properties that include high breakdown voltage and wide bandgap. An overview of SiC sensors and electronics work ongoing at NASA Glenn Research Center (NASA GRC) will be presented. The main focus will be two technologies currently being investigated: 1) harsh environment SiC pressure transducers and 2) high temperature SiC electronics. Work highlighted will include the design, fabrication, and application of SiC sensors and electronics, with recent advancements in state-of-the-art discussed as well. These combined technologies are studied for the goal of developing advanced capabilities for measurement and control of aeropropulsion systems, as well as enhancing tools for exploration systems.

Evans, Laura J.↗

Variations of electron distribution functions in the solar wind

Variations of electron distribution functions in the solar wind have been investigated using the electron data observed aboard Helios 2 during the first four months of its mission in 1976 in the distance range between 0.3 and 1 AU. In particular, variations across the sector structure of the interplanetary magnetic field and across the plasma stream structures have been studied. It has been found that there is a strong correlation between the electron properties and the sector structure of the magnetic field. Within the interior of magnetic sectors the electron distribution functions are extremely anisotropic and skewed with respect to the magnetic field direction at high particle energies. Toward sector boundaries the electron distribution functions become less anisotropic and less skewed. Right at sector boundaries the electrons are relatively cool, and their distributions are nearly isotropic often showing a slight bidirectional anisotropy. These observations have been interpreted to indicate that scattering of electrons with energies above 100 eV is weak within the interior of magnetic sectors but anomalous scattering increases drastically toward sector boundaries for all energies in the halo regime up to several hundred eV. There is evidence for closed magnetic field structures, probably occurring frequently in the solar wind, where the magnetic field lines should usually be connected to the sun outside sector boundaries but may or may not be disconnected from the sun at sector boundaries.

Pilipp, W. G.↗

Scanning tunneling microscopy studies of diamond films and optoelectronic materials

In this report, we report on progress achieved from 12/1/92 to 10/1/93 under the grant entitled 'Scanning Tunneling Microscopy Studies of Diamond Films and Optoelectronic Materials'. We have set-up a chemical vapor deposition (CVD) diamond film growth system and a Raman spectroscopy system to study the nucleation and growth of diamond films with atomic resolution using scanning tunneling microscopy (STM). A unique feature of the diamond film growth system is that diamond films can be transferred directly to the ultrahigh vacuum (UHV) chamber of a scanning tunneling microscope without contaminating the films by exposure to air. The University of North Texas (UNT) provided $20,000 this year as matching funds for the NASA grant to purchase the diamond growth system. In addition, UNT provided a Coherent Innova 90S Argon ion laser, a Spex 1404 double spectrometer, and a Newport optical table costing $90,000 to set-up the Raman spectroscopy system. The CVD diamond growth system and Raman spectroscopy system will be used to grow and characterize diamond films with atomic resolution using STM as described in our proposal. One full-time graduate student and one full-time undergraduate student are supported under this grant. In addition, several graduate and undergraduate students were supported during the summer to assist in setting-up the diamond growth and Raman spectroscopy systems. We have obtained research results concerning STM of the structural and electronic properties of CVD grown diamond films, and STM and scanning tunneling spectroscopy of carbon nanotubes. In collaboration with the transmission electron microscopy (TEM) group at UNT, we have also obtained results concerning the optoelectronic material siloxene. These results were published in refereed scientific journals, submitted for publication, and presented as invited and contributed talks at scientific conferences.

Perez, Jose M.↗