Ultra-structural defects cause low bone matrix stiffness despite high mineralization in osteogenesis imperfecta mice.

Bone is a complex material with a hierarchical multi-scale organization from the molecule to the organ scale. The genetic bone disease, osteogenesis imperfecta, is primarily caused by mutations in the collagen type I genes, resulting in bone fragility. Because the basis of the disease is molecular with ramifications at the whole bone level, it provides a platform for investigating the relationship between structure, composition, and mechanics throughout the hierarchy. Prior studies have individually shown that OI leads to: 1. increased bone mineralization, 2. decreased elastic modulus, and 3. smaller apatite crystal size. However, these have not been studied together and the mechanism for how mineral structure influences tissue mechanics has not been identified. This lack of understanding inhibits the development of more accurate models and therapies. To address this research gap, we used a mouse model of the disease (oim) to measure these outcomes together in order to propose an underlying mechanism for the changes in properties. Our main finding was that despite increased mineralization, oim bones have lower stiffness that may result from the poorly organized mineral matrix with significantly smaller, highly packed and disoriented apatite crystals. Using a composite framework, we interpret the lower oim bone matrix elasticity observed as the result of a change in the aspect ratio of apatite crystals and a disruption of the crystal connectivity.

Donor-donor binding in In2O3: Engineering shallow donor levels

Using first-principles band structure methods, we investigate the interactions between different donors in In2O3. Through the formation energy and transition energy level calculations, we find that an oxygen-vacancy creates a deep donor level, while an indium-interstitial or a tin-dopant induces a shallow donor level. The coupling between these donor levels gives rise to even shallower donor levels and leads to a significant reduction in their formation energies. Based on the analysis of the PBE0-corrected band structure and the molecular-orbital bonding diagram, we demonstrate these effects of donor-donor binding. In addition, total energy calculations show that these defect pairs tend to be more stable with respect to the isolated defects due to their negative binding energies. Thus, we may design shallow donor levels to enhance the electrical conductivity via the donor donor binding.

First-principle study of extrinsic defects in CuScO2 and CuYO2

Using first-principles methods, we studied the extrinsic defects doping in transparent conducting oxides CuMO2 (M=Sc, Y). We chose Be, Mg, Ca, Si, Ge, Sn as extrinsic defects to substitute for M and Cu atoms. By systematically calculating the impurity formation energy and transition energy level, we find that Be-Cu is the most prominent extrinsic donor and Ca-M is the prominent extrinsic acceptor. In addition, we find that Mg atom substituting for Sc is the most prominent extrinsic acceptor in CuSCO2. Our calculation results are expected to be a guide for preparing n-type and p-type materials through extrinsic doping in CuMO2 (M=SC, y). (C) 2008 Elsevier B.V. All rights reserved.

Investigation of optical quenching of photoconductivity in high-resistivity GaN epilayer

In undoped high-resistivity GaN epilayers grown by metalorganic chemical vapor deposition (MOCVD) on sapphire, deep levels are investigated by persistent photoconductivity (PPC) and optical quenching (OQ) of photoconductivity (PC) measurements. The PPC and OQ are studied by exciting the samples with two beams of radiation of various wavelengths and intensities. When the light wavelengths of 300 and 340 nm radiate the GaN epilayer, the photocurrent without any quenching effect is rapidly increased because the band gap transition only occurs. If the background light is 340 nm and the quenching light is 564 or 828 nm, the quenching of a small photocurrent generates but clearly. Two broad quenching bands that extend from 385 to 716 nm and from 723 to 1000 nm with a maximum at approximately 2.2 eV (566 nm) is observed. These quenching bands are attributed to hole trap level's existence in the GaN epilayer. We point out that the origin of the defects responsible for the optical quenching can be attributed to nitrogen antisite and/or gallium vacancy. (c) 2006 Elsevier B.V. All rights reserved.

Deep levels in semi-insulating InP obtained by annealing under iron phosphide ambiance

Deep levels in semi-insulating (SI) InP obtained by annealing in iron phosphide (IP) ambiance have been characterized by optical transient current spectroscopy (OTCS). Compared with the OTCS result of the SI InP prepared by annealing in pure phosphorus (PP) ambiance, the IP SI InP presents only two traps with activation energies of 0.20 and 0.63 eV, respectively. The results suggest that the diffusion of Fe-atoms suppresses the formation of a few defects in the IP SI InP. The nature of deep levels in the IP and PP SI InP has been discussed on the basis of these results. The relation between material property and defects in those SI InP has also been revealed. (C) 2002 American Institute of Physics.

Investigation of defects in low-temperature-grown GaAs using optical transient spectroscopy

Optical transient current spectroscopy (OTCS) has been used to investigate defects in the low-temperature-grown GaAs after postgrowth rapid thermal annealing (RTA). Two samples A and B were grown at 220 degreesC and 360 degreesC on (001) GaAs substrates, respectively. After growth, samples were subjected to 30s RTA in the range of 500-800 degreesC. Before annealing, X-ray diffraction measurements show that the concentrations of the excess arsenic for samples A and B are 2.5 x 10(19) and 1 x 10(19) cm(-3), respectively. It is found that there are strong negative decay signals in the optical transient current (OTC) for the annealed sample A. Due to the influence of OTC strong negative decay signals, it is impossible to identify deep levels clearly from OTCS. For a comparison, three deep levels can be identified for sample B before annealing. They are two shallower deep levels and the so-called As-Ga antisite defect. At the annealing temperature of 600 degreesC, there are still three deep levels. However, their structures are different from those in the as-grown sample. OTC strong negative decay signals are also observed for the annealed sample B. It is argued that OTC negative decay signals are related to arsenic clusters. (C) 2000 Elsevier Science B.V. All rights reserved.

Evolution from point defects to arsenic clusters in low-temperature grown GaAs/AlGaAs multiple quantum wells

Optical transient current spectroscopy (OTCS), photoluminescence (PL) spectroscopy and excitonic electroabsorption spectroscopy have been used to investigate the evolution of defects in the low-temperature grown GaAs/AlGaAs multiple quantum well structures during the postgrowth rapid thermal annealing. The sample was grown at 350 degrees C by molecular beam epitaxy on miscut (3.4 degrees off (001) towards (111)A) (001) GaAs substrate. After growth, the sample was subjected to 30s rapid thermal annealing in the range of 500-800 degrees C. It is found that the integrated PL intensity first decreases with the annealing temperature, then gets a minimum at 600 degrees C and finally recovers at higher temperatures. OTCS measurement shows that besides As,, antisites and arsenic clusters, there are several relatively shallower deep levels with excitation energies less than 0.3 eV in the as-grown and 500 degrees C-annealed samples. Above 600 degrees C, OTCS signals from As,, antisites and shallower deep levels become weaker, indicating the decrease of these defects. It is argued that the excess arsenic atoms group together to form arsenic clusters during annealing. (C) 2000 Elsevier Science B.V. All rights reserved.

Effect of arsenic precipitates on Fermi level in GaAs grown by molecular-beam epitaxy at low temperature

A simple model is presented to discuss the effect of As precipitates on the Fermi level in GaAs grown by molecular-beam epitaxy at low temperature (LT-GaAs). This model implements the compensation between point defects and the depletion of arsenic precipitates. The condition that the Fermi level is pinned by As precipitates is attained. The shifts of the Fermi level in LT-GaAs with annealing temperature are explained by our model. Additionally, the role of As precipitates in conventional semi-insulating GaAs is discussed. (C) 2000 American Institute of Physics. [S0021-8979(00)09905-9].

Ultrafast low-temperature grown AlGaAs/GaAs photorefractive quantum wells using point defects as capture centers

At a medium substrate temperature of 400 degrees C and a lower As flux, we have grown an ultrafast AlGaAs/GaAs photorefractive multiple quantum well (MQW) structure by molecular beam epitaxy. The as-grown sample exhibits strong photorefractive effect under the transverse Frantz-Keldysh geometry. A peak electroabsorption of 2100 cm(-1) is measured in the as-grown sample in an 11 kV/cm dc electric field, and the peak photorefractive diffraction efficiency can be 1.2%. After postgrowth annealing, the photorefractive effect becomes weak and disappears in samples annealed above 700 degrees C. Using optical transient current spectroscopy, deep levels are measured in these samples. It is found that deep levels are stable against annealing until 700 degrees C. Using a pump-probe technique, carrier lifetimes are measured at room temperature. We find that the as-grown sample has a lifetime of 20 ps, while the 700 degrees C annealed sample has a lifetime of more than 200 ps. The ultrafast lifetime in the as-grown sample is caused by point defects, not by As clusters. Our result show that AlGaAs/GaAs MQW structure grown around 400 degrees C has better performance of the photorefractive effect. (C) 1999 American Institute of Physics. [S0003-6951(99)04036-X].

Temperature dependence of the Fermi level in low-temperature-grown GaAs

A variable-temperature reflectance difference spectroscopy study of GaAs grown by molecular beam epitaxy at low-temperature GaAs (LT-GaAs) shows that the Fermi level is mostly determined by the point defects in samples annealed at below 600 degrees C and can be shifted by photoquenching the defects. The Fermi level is otherwise almost temperature independent, leading to an estimated width of the defect band of 150 meV in the as-grown sample, For LT-GaAs annealed at 850 degrees C, the Fermi level is firmly pinned, most Likely by the As precipitates. (C) 1998 American Institute of Physics.

Variation of Optical Quenching of Photoconductivity with Resistivity in Unintentional Doped GaN

The optical quenching of photoconductivity under dual illumination in GaN samples with different resistivity is investigated to reveal the variation of deep levels. The samples are grown by metal organic chemical vapour deposition without intentional doping. Quenching bands centered at 1.35 eV, 1.55 eV, 1.98 eV, and 2.60 eV are observed. It is found that the 1.98 eV quenching band is dominated in all the samples and the 2.60 eV band is observed only in the high-resistivity samples. The possible defect levels responsible for the quenching bands and the origin of different quenching behaviour at 2.60 eV are discussed. It is suggested that the defect level responsible for quenching at 2.60 eV plays an important role for the enhancement of resistivity.

STRUCTURAL DEFECTS AND THEIR ELECTRICAL-ACTIVITY IN GERMANIUM IMPLANTED SILICON

The electrical and structural characteristics of secondary defects in regrown amorphous layers formed in n-type Si(100) with a resistivity of 2 OMEGA cm and 6 OMEGA cm using Ge+ ions, has been studied. The amorphous layers with a thickness of 460 nm are formed by implantation of 1 x 10(15) Ge+ cm-2 at an energy of 400 keV. Both conventional furnace and rapid thermal annealing were used to regrow the amorphous layer and the residual defects have been characterised in terms of their concentration depth distribution and activation energies using C-V and DLTS. Structural information has been obtained from RBS and XTEM. By choosing suitable anneal conditions it is possible to eliminate extended defects, apart from a low concentration of end of range dislocation loops. However, a substantial population of electrically active point defects remain after simple low thermal budget anneals. In a sample implanted with 1 x 10(15) Ge+ cm-2 at 400 keV a region of deep donors approximately 460 nm from the surface is always present When the samples are annealed at higher temperatures (> 850-degrees the total deep donor concentration is reduced by one order of magnitude. Other electrically active defects not observable in the low (750-degrees-C) temperature annealed layers become apparent during anneals at intermediate temperatures.

ENERGY-LEVEL CALCULATIONS OF THE RECONSTRUCTED 90-DEGREES PARTIAL DISLOCATION IN SILICON

An LCAO scheme taking into account 10 atomic orbitals (s-, p-, and d-type) applied to a supercell containing 256 atoms is used to calculate the bound states of the reconstructed 90-degrees partial dislocation in Si. The results differ significantly from our earlier calculations on the unreconstructed 90-degrees partial using the same method. We find two bands separate from each other in the entire Brillouin zone and the upper band penetrates deep into the indirect band gap which is in contradiction with the general opinion that core reconstruction clears the band gap of dislocation states.

Ab initio calculations for the neutral and charged O vacancy in sapphire

The energetics, lattice relaxation, and the defect-induced states of st single O vacancy in alpha-Al2O3 are studied by means of supercell total-energy calculations using a first-principles method based on density-functional theory. The supercell model with 120 atoms in a hexagonal lattice is sufficiently large to give realistic results for an isolated single vacancy (square). Self-consistent calculations are performed for each assumed configuration of lattice relaxation involving the nearest-neighbor Al atoms and the next-nearest-neighbor O atoms of the vacancy site. Total-energy data thus accumulated are used to construct an energy hypersurface. A theoretical zero-temperature vacancy formation energy of 5.83 eV is obtained. Our results show a large relaxation of Al (O) atoms away from the vacancy site by about 16% (8%) of the original Al-square (O-square) distances. The relaxation of the neighboring Al atoms has a much weaker energy dependence than the O atoms. The O vacancy introduces a deep and doubly occupied defect level, or an F center in the gap, and three unoccupied defect levels near the conduction band edge, the positions of the latter are sensitive to the degree of relaxation. The defect state wave functions are found to be not so localized, but extend up to the boundary of the supercell. Defect-induced levels are also found in the valence-band region below the O 2s and the O 2p bands. Also investigated is the case of a singly occupied defect level (an F+ center). This is done by reducing both the total number of electrons in the supercell and the background positive charge by one electron in the self-consistent electronic structure calculations. The optical transitions between the occupied and excited states of the: F and F+ centers are also investigated and found to be anisotropic in agreement with optical data.

Reflectance-difference spectroscopy study of the Fermi-level position of low-temperature-grown GaAs

The results of a reflectance-difference spectroscopy study of GaAs grown on (100) GaAs substrates by low-temperature molecular-beam epitaxy (LT-GaAs) are presented. In-plane optical anisotropy resonances which come from the linear electro-optic effect produced by the surface electric field are observed. The RDS line shape of the resonances clearly shows that the depletion region of LT-GaAs is indeed extremely narrow (much less than 200 Angstrom). The surface potential is obtained from the RDS resonance amplitude without the knowledge of space-charge density. The change of the surface potential with post-growth annealing temperatures reflects a complicated movement of the Fermi level in LT-GaAs. The Fermi level still moves for samples annealed at above 600 degrees C, instead of being pinned to the As precipitates. This behavior can be explained by the dynamic properties of defects in the annealing process.