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At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Thermoluminescence and lattice defects in LiF

The principal effect of thermal and optical treatments in an ionic solid is to alter the lattice defect equilibrium, including the concentration and arrangement of ion vacancies, impurities, impurity-vacancy associates, and assorted electrons and holes which may be associated with such defects. This paper examines the relationship between these defects and thermoluminescence in the case of lithium fluoride at and above room temperature. The discussion focuses on lattice defect equilibrium, thermoluminescent trapping centers, the relationship between recombination and luminescence, the supralinearity and sensitization of the dosimetry grade of LiF and activation energy parameters.

Stoebe, T. G.↗
NASA NTRS1969

Study of lattice defect vibration

Report on the vibrations of defects in crystals relates how defects, well localized in a crystal but interacting strongly with the other atoms, change the properties of a perfect crystal. The methods used to solve defect problems relate the properties of an imperfect lattice to the properties of a perfect lattice.

Elliott, R. J.↗
NASA NTRS1981

Lattice defects in semiconducting Hg/1-x/Cd/x/Te alloys. I - Defect structure of undoped and copper doped Hg/0.8/Cd/0.2/Te. II - Defect structure of indium-doped Hg/0.8/Cd/0.2/Te

Hall effect and mobility measurements were conducted on undoped Hg(0.8)Cd(0.2)Te crystals which were quenched to room temperature after being subjected to equilibration at temperatures ranging from 400 to 655 C in various Hg atmospheres. The variation of the hole concentration in the cooled crystals at 77 K as a function of Hg's partial pressure at the equilibration temperature, together with a comparison of the hole mobility in the undoped samples with that in copper-doped ones, yields a defect model for the undoped crystals according to which they are intrinsic at the equilibration temperatures and the native acceptor defects are doubly ionized. In the second part of this paper, the effects of indium doping are considered. The concentration of electrons obtained in the cooled crystals was found to be lower than the intrinsic carrier concentration at the equilibration temperatures. A defect model is proposed according to which most of the indium is incorporated as In2Te3(s) dissolved in the crystal, with only a small fraction of indium acting as single donors occupying Hg lattice sites.

Vydyanath, H. R.↗
NASA NTRS1987

Lattice defects in beta-SiC grown epitaxially on silicon substrates

Defects generated on beta-SiC grown on a (001) silicon substrate by chemical vapor deposition are characterized and their mechanism of formation discussed. It is argued that nucleation plays a primary role in this heteroepitaxial system where the lattice mismatch is so large.

Pirouz, P.↗
NASA NTRS1981

Lattice defects in semiconducting Hg/1-x/Cd/x/Te alloys. III - Defect structure of undoped Hg0.6Cd0.4Te

Hall effect measurements were carried out on undoped Hg0.6Cd0.4Te crystals quenched to room temperature subsequent to equilibration at temperatures varying from 450 to 720 C under various partial pressures of Hg. The variation of the hole concentration as a function of the partial pressure of Hg indicates that the native acceptor defects are doubly ionized. Native donor defects are found to be negligible in concentration and the p-type to n-type conversion is shown to be due to residual donors and not due to native donor defects. Thermodynamic constant for the incorporation of the doubly ionized native acceptor defect has been established.

Vydyanath, H. R.↗
NASA NTRS1996

Epitaxial Growth of beta-Silicon Carbide (SiC) on a Compliant Substrate via Chemical Vapor Deposition (CVD)

Many lattice defects have been attributed to the lattice mismatch and the difference in the thermal coefficient of expansion between SiC and silicon (Si). Stacking faults, twins and antiphase boundaries are some of the lattice defects found in these SiC films. These defects may be a partial cause of the disappointing performance reported for the prototype devices fabricated from beta-SiC films. The objective of this research is to relieve some of the thermal stress due to lattice mismatch when SiC is epitaxially grown on Si. The compliant substrate is a silicon membrane 2-4 microns thick. The CVD process includes the buffer layer which is grown at 1360 C followed by a very thin epitaxial growth of SiC. Then the temperature is raised to 1500 C for the subsequent growth of SiC. Since silicon melts at 1415 C, the SiC will be grown on molten Silicon which is absorbed by a porous graphite susceptor eliminating the SiC/Si interface. We suspect that this buffer layer will yield less stressed material to help in the epitaxial growth of SiC.

Mitchell, Sharanda L.↗
NASA NTRS2023

Oxidation of Silicon Particles Suspended in Mullite Matrix With Dual-Mode Vacancy Diffusion of Oxygen

Mullite bond coats filled with silicon particles have recently been proposed for the next generation of environmental barrier coatings (EBCs). The sacrificial oxidation of the silicon particles eliminates some of the environmental durability issues associated with traditional EBC designs. To investigate this novel design approach, a mathematical formulation and resulting numerical method have been developed for simulating the oxidation of silicon particles embedded in a mullite matrix. The focus is on the oxidation of the silicon in a dry oxygen environment where the oxidant is presumably oxygen. Oxygen transport from the exterior environment through the mullite is assumed to occur via two lattice defect diffusion mechanisms. As a result, the rate of oxygen transport is dictated by the self-diffusivity of the lattice defects. The numerical method is implemented using the COMSOL Multiphysics® program (COMSOL, Inc.). The method is applied to simulate the oxidation of silicon particles in a mullite pellet in recent oxidation experiments. Numerical results compare favorably with the oxidation behavior observed in the oxidation experiments. The numerical method is also used to investigate the effects of various features of the mullite-silicon particle system on the oxidation behavior.

silicon oxidation↗
NASA NTRS2005

Protein Crystallization

Nucleation, growth and perfection of protein crystals will be overviewed along with crystal mechanical properties. The knowledge is based on experiments using optical and force crystals behave similar to inorganic crystals, though with a difference in orders of magnitude in growing parameters. For example, the low incorporation rate of large biomolecules requires up to 100 times larger supersaturation to grow protein, rather than inorganic crystals. Nucleation is often poorly reproducible, partly because of turbulence accompanying the mixing of precipitant with protein solution. Light scattering reveals fluctuations of molecular cluster size, its growth, surface energies and increased clustering as protein ages. Growth most often occurs layer-by-layer resulting in faceted crystals. New molecular layer on crystal face is terminated by a step where molecular incorporation occurs. Quantitative data on the incorporation rate will be discussed. Rounded crystals with molecularly disordered interfaces will be explained. Defects in crystals compromise the x-ray diffraction resolution crucially needed to find the 3D atomic structure of biomolecules. The defects are immobile so that birth defects stay forever. All lattice defects known for inorganics are revealed in protein crystals. Contribution of molecular conformations to lattice disorder is important, but not studied. This contribution may be enhanced by stress field from other defects. Homologous impurities (e.g., dimers, acetylated molecules) are trapped more willingly by a growing crystal than foreign protein impurities. The trapped impurities induce internal stress eliminated in crystals exceeding a critical size (part of mni for ferritin, lysozyme). Lesser impurities are trapped from stagnant, as compared to the flowing, solution. Freezing may induce much more defects unless quickly amorphysizing intracrystalline water.

Chernov, Alexander A.↗
NASA NTRS1985

Defect Chemistry of Hg1-xCdxTe

Intermediate goal of this investigation to correlate nature and concentration of lattice defects with physicochemical conditions of preparation; namely, temperature, partial pressures of constituent elements and/or dopant concentration. Result of this investigation: possible to predict and control nature and concentration of defects as function of preparation conditions.

Vydyanath, H.↗
NASA NTRS1971

The observation of structural defects in neutron-irradiated lithium-doped silicon solar cells

Electron microscopy has been used to observe the distribution and morphology of lattice defects introduced into lithium-doped silicon solar cells by neutron irradiation. Upon etching the surface of the solar cells after irradiation, crater-like defects are observed that are thought to be associated with the space charge region around vacancy clusters. Thermal annealing experiments showed that the crater defects were stable in the temperature range 300 to 1200 K in all of the lithium-doped samples. Some annealing of the crater defects was observed to occur in the undoped cells which were irradiated at the lowest doses.

Sargent, G. A.↗
NASA NTRS1985

Structural defects in crystalline silicon

The basic photovoltaic properties of a given crystalline silicon specimen seem to be governed by density and nature of two to three dimensional lattice defects. These are mainly generated by primary growth conditions as grain boundaries of more or less intrinsic character or second phase precipitates from supersaturated solutions of carbon or oxygen. Considerably high values of both solubility and diffusivity in connection with their abundance in common refractory material systems account for the predominance of the two particular elements. Unsaturated dislocations of different types very often can be seen as a consequence of the existence of more dimensional defects as described initially. The final performance of a solar cell is dependent of the concentration and distribution of recombination active centers in the different regions of this device. Typical representatives are fast diffusing transition metals in form of either single atoms or simple complexes. Their avoidance, annihilation, or removal is of great concern in different fields of electronic materials development.

Sirtl, E.↗
NASA NTRS1974

Phonons in quantum solids with defects

A formalism was developed for temperature-dependent, self-consistent phonons in quantum solids with defects. Lattice vacancies and interstitials in solid helium and metallic hydrogen, as well as electronic excitations in solid helium, were treated as defects that modify properties of these systems. The information to be gained from the modified phonon spectrum is discussed.

Jacobi, N.↗
NASA NTRS1979

Photon-degradation effects in terrestrial silicon solar cells

The effect of instability in terrestrial solar cells and identification of mechanisms involved are presented. The effect is similar to photon-induced degradation in radiation-damaged space solar cells, with reduction in cell output in n(+)/p cells upon exposure to illumination or upon the application of a sufficiently high forward bias. It was found that the photon-degradation effect is caused by a recombination center identified as a complex of a lattice defect and a silver atom or cluster of atoms. The center is electrically inactive in its ground state but can be activated by raising the minority-carrier quasi-Fermi level to coincide with the position of the latent-center level in the band gap, or by direct excitation of electrons from the valence band to the latent-center level. Photon degradation can be prevented by avoiding the introduction of silver through the use of a clean diffusion system and clean initial material, or by eliminating lattice damage by sufficient surface material removal prior to diffusion and restricting diffusion temperatures to 875 C or below.

Weizer, V. G.↗
NASA NTRS1978

Photon degradation effects in terrestrial solar cells

A certain type of photon degradation effect has been observed experimentally in n(+)/p solar cells. It is found that this effect is caused by a recombination center, the formation of which requires the simultaneous presence of a lattice defect and a silver atom or complex of atoms. The center is electrically active in its equilibrium state; the energy level of the inactive center is located in the band gap, 0.37 eV below the conduction band. Conversion to an active recombination center can be brought about either by raising the minority carrier quasi-Fermi level to coincide with the position of the latent center level in the band gap or by the direct excitation of electrons from the valence band to the latent center level. Photon degradation can be prevented either by preventing the introduction of silver through the use of a clean diffusion system and clean initial material or by eliminating lattice damage through sufficient surface material removal prior to diffusion while at the same time restricting diffusion temperatures to 875 C or below.

Weizer, V. G.↗
NASA NTRS1999

Modeling of Macroscopic/Microscopic Transport and Growth Phenomena in Zeolite Crystal Solutions Under Microgravity Conditions

Crystals grown from liquid solutions have important industrial applications. Zeolites, for instance, a class of crystalline aluminosilicate materials, form the backbone of the chemical process industry worldwide, as they are used as adsorbents and catalysts. Many of the phenomena associated with crystal growth processes are not well understood due to complex microscopic and macroscopic interactions. Microgravity could help elucidate these phenomena and allow the control of defect locations, concentration, as well as size of crystals. Microgravity in an orbiting spacecraft could help isolate the possible effects of natural convection (which affects defect formation) and minimize sedimentation. In addition, crystals will stay essentially suspended in the nutrient pool under a diffusion-limited growth condition. This is expected to promote larger crystals by allowing a longer residence time in a high-concentration nutrient field. Among other factors, the crystal size distribution depends on the nucleation rate and crystallization. These two are also related to the "gel" polymerization/depolymerization rate. Macroscopic bulk mass and flow transport and especially gravity, force the crystals down to the bottom of the reactor, thus forming a sedimentation layer. In this layer, the growth rate of the crystals slows down as crystals compete for a limited amount of nutrients. The macroscopic transport phenomena under certain conditions can, however, enhance the nutrient supply and therefore, accelerate crystal growth. Several zeolite experiments have been performed in space with mixed results. The results from our laboratory have indicated an enhancement in size of 30 to 70 percent compared to the best ground based controls, and a reduction of lattice defects in many of the space grown crystals. Such experiments are difficult to interpret, and cannot be easily used to derive empirical or other laws since many physical parameters are simultaneously involved in the process. At the same time, however, there is increased urgency to develop such an understanding in order to more accurately quantify the process. In order to better understand the results obtained from our prior space experiments, and design future experiments, a detailed fluid dynamic model simulating the crystal growth mechanism is required. This will not only add to the fundamental knowledge on the crystallization of zeolites, but also be useful in predicting the limits of size and growth of these important industrial materials. Our objective is to develop macro/microscopic theoretical and computational models to study the effect of transport phenomena in the growth of crystals grown in solutions. Our effort has concentrated so far in the development of separate macroscopic and microscopic models. The major highlights of our accomplishments are described.

Gatsonis, Nikos A.↗