Strong visible photoluminescence from amorphous silicon grains in a-SiOx:H films

Two strong luminescence bands were observed from a-SiOx:H in the spectral range of 550-900 nm at room temperature. One is a main broad peak which blueshifts with oxygen content and the other is a shoulder fixed at about 835 nm. In conjunction with TR and micro-Raman spectra, we have proposed that the main band may originate from the amorphous silicon grains embedded in SiOx network, while the shoulder might be due to some defects induced by excess-silicon in these films. (C) 1997 Elsevier Science Ltd.

Improvement of the stability of hydrogenated amorphous silicon films by intermittent illumination treatment at elevated temperature

The intermittent illumination treatment by white light at elevated temperature is proved to be a convenient and efficient method for the improvement of the stability of hydrogenated amorphous silicon (a-Si:H) films. The effect of the treatment on electrical properties, light-induced degradation, and gap states of undoped a-Si:H films has been investigated in detail. With the increase of cycling number, the dark- as well as photo-conductivities in annealed state and light-soaked state approach each other, presenting an unique irreversible effect. The stabilization and ordering processes by the present treatment can not be achieved merely by annealing under the same conditions. It is shown that the treatment proposed here results in a shift to higher values of the energy barriers between defects and their precursors, and hence an improved stability of a-Si:H films. (C) 1996 American Institute of Physics.

Influence of zinc phthalocyanines on photoelectrical properties of hydrogenated amorphous silicon

Composites consisting of hydrogenated amorphous silicon (a-Si: H, inorganic) and zinc phthalocyanine (ZnPc, organic) were prepared by vacuum evaporation of ZnPc and sequential deposition amorphous silicon via plasma enhanced chemical vapor deposition (PECVD). The optical and electrical properties of the composite film have been investigated. The results demonstrate that ZnPc can endure the temperature and bombardment of the PECVD plasma and photoconductivity of the composite film was improved by 89.9% compared to pure a-Si: H film. Electron mobility-lifetime products μτ of the composite film were increased by nearly one order of magnitude from 6.96 × 10~(-7) to 5.08 × 10~(-6) cm~2/V. Combined with photoconductivity spectra of the composites and pure a-Si: H, we tentatively elucidate the improvement in photoconductivity of the composite film.

Light-induced change of Si-H bond absorption in hydrogenated amorphous silicon

Device-quality a-Si:H films were prepared by glow discharge CVD with pure or H-diluted silane as well as by hot-wire CVD. The hydrogen content was varied from similar to 2 to 15 at. %. The Si-H bond absorption and its light-soaking-induced changes were studied by IR and differential IR absorption spectroscopes. The results indicate that the more stable sample exhibits an increase of the absorption at wave number similar to 2000 cm(-1), and the less stable one exhibits a decrease at similar to 2040 cm(-1) and an increase at similar to 1880 cm(-1).

High quality hydrogenated amorphous silicon films with significantly improved stability

High quality hydrogenated amorphous silicon (a-Si:H) films have been prepared by a simple "uninterrupted growth/annealing" plasma enhanced chemical vapor deposition (PECVD) technique, combined with a subtle boron-compensated doping. These a-Si:H films possess a high photosensitivity over 10(6), and exhibit no degradation in photoconductivity and a low light-induced defect density after prolonged illumination. The central idea is to control the growth conditions adjacent to the critical point of phase transition from amorphous to crystalline state, and yet to locate the Fermi level close to the midgap. Our results show that the improved stability and photosensitivity of a-Si:H films prepared by this method can be mainly attributed to the formation of a more robust network structure and reduction in the precursors density of light-induced metastable defects.

Sintering of nanopowders of amorphous silicon nitride under ultrahigh pressure

Nanopowders of amorphous silicon nitride were densified and sintered without additives under ultrahigh pressure (1.0-5.0 GPa) between room temperature and 1600 degrees C. The powders had a mean diameter of 18 nm and contained similar to 5.0 wt% oxygen that came from air-exposure oxidation, Sintering results at different temperatures were characterized in terms of sintering density, hardness, phase structure, and grain size. It was observed that the nanopowders can be pressed to a high density (87%) even at room temperature under the high pressure. Bulk Si3N4 amorphous and crystalline ceramics (relative density: 95-98%) were obtained at temperatures slightly below the onset of crystallization (1000-1100 degrees C and above 1420 degrees C, respectively. Rapid grain growth occurred during the crystallization leading to a grain size (>160 nm) almost 1 order of magnitude greater than the starting particulate diameters, With the rise of sintering temperature, a final density was reached between 1350 and 1420 degrees C, which seemed to be independent of the pressure applied (1.0-5.0 GPa), The densification temperature observed under the high pressure is lower by 580 degrees C than that by hot isostatic pressing sintering, suggesting a significantly enhanced low-temperature sintering of the nanopowders under a high external pressure.

Enhanced crystallization and phase transformation of amorphous silicon nitride under high pressure

The crystallization and phase transformation of amorphous Si3N4 ceramics under high pressure (1.0-5.0 GPa) between 800 and 1700 degreesC were investigated. A greatly enhanced crystallization and alpha-beta transformation of the amorphous Si3N4 ceramics were evident under the high pressure, as characterized by that, at 5.0 GPa, the amorphous Si3N4, began to crystallize at a temperature as low as 1000 degreesC (to transform to alpha modification). The subsequent alpha-beta transformation occurred completed between 1350 and 1420 degreesC after only 20 min of pressing at 5.0 GPa. In contrast, under 0.1 MPa N-2, the identical amorphous materials were stable up to 1400 degreesC without detectable crystallization, and only a small amount of a phase was detected at 1500 degreesC. The crystallization temperature and the alpha-beta transformation temperatures are reduced by 200-350 degreesC compared to that at normal pressure. The enhanced phase transformations of the amorphous Si3N4, were discussed on the basis of thermodynamic and kinetic consideration of the effects of pressure on nucleation and growth.

First principles simulation of amorphous silicon bulk, interfaces, and nanowires for photovoltaics

Amorphous silicon has become the material of choice for many technologies, with major applications in large area electronics: displays, image sensing and thin film photovoltaic cells. This technology development has occurred because amorphous silicon is a thin film semiconductor that can be deposited on large, low cost substrates using low temperature. In this thesis, classical molecular dynamics and first principles DFT calculations have been performed to generate structural models of amorphous and hydrogenated amorphous silicon and interfaces of amorphous and crystalline silicon, with the ultimate aim of understanding the photovoltaic properties of core-shell crystalline amorphous Si nanowire structures. We have shown, unexpectedly, from the simulations, that our understanding of hydrogenated bulk a-Si needs to be revisited, with our robust finding that when fully saturated with hydrogen, bulk a-Si exhibits a constant optical energy gap, irrespective of the hydrogen concentration in the sample. Unsaturated a-Si:H, with a lower than optimum hydrogen content, shows a smaller optical gap, that increases with hydrogen content until saturation is reached. The mobility gaps obtained from an analysis of the electronic states show similar behavior. We also obtained that the optical and mobility gaps show a volcano curve as the H content is varied from 7% (undersaturation) to 18% (mild oversaturation). In the case of mild over saturation, the mid-gap states arise exclusively from an increase in the density of strained Si-Si bonds. Analysis of our structures shows the extra H atoms in this case form a bridge between neighboring silicon atoms which increases the corresponding Si-Si distance and promotes bond length disorder in the sample. That has the potential to enhance the Staebler-Wronski effect. Planar interface models of amorphous-crystalline silicon have been generated in Si (100), (110) and (111) surfaces. The interface models are characterized by structure, RDF, electronic density of states and optical absorption spectrum. We find that the least stable (100) surface will result in the formation of the thickest amorphous silicon layer, while the most stable (110) surface forms the smallest amorphous region. We calculated for the first time band offsets of a-Si:H/c-Si heterojunctions from first principles and examined the influence of different surface orientations and amorphous layer thickness on the offsets and implications for device performance. The band offsets depend on the amorphous layer thickness and increase with thickness. By controlling the amorphous layer thickness we can potentially optimise the solar cell parameters. Finally, we have successfully generated different amorphous layer thickness of the a-Si/c-Si and a-Si:H/c-Si 5 nm nanowires from heat and quench. We perform structural analysis of the a-Si-/c-Si nanowires. The RDF, Si-Si bond length distributions, and the coordination number distributions of amorphous regions of the nanowires reproduce similar behaviour compared to bulk amorphous silicon. In the final part of this thesis we examine different surface terminating chemical groups, -H, - OH and –NH2 in (001) GeNW. Our work shows that the diameter of Ge nanowires and the nature of surface terminating groups both play a significant role in both the magnitude and the nature of the nanowire band gaps, allowing tuning of the band gap by up to 1.1 eV. We also show for the first time how the nanowire diameter and surface termination shifts the absorption edge in the Ge nanowires to longer wavelengths. Thus, the combination of nanowire diameter and surface chemistry can be effectively utilised to tune the band gaps and thus light absorption properties of small diameter Ge nanowires.

Optical contrast in ion-implanted amorphous silicon carbide nanostructures

Topographic and optical contrasts formed by Ga+ ion irradiation of thin films of amorphous silicon carbide have been investigated with scanning near-field optical microscopy. The influence of ion-irradiation dose has been studied in a pattern of sub-micrometre stripes. While the film thickness decreases monotonically with ion dose, the optical contrast rapidly increases to a maximum value and then decreases gradually. The results are discussed in terms of the competition between the effects of ion implantation and surface milling by the ion beam. The observed effects are important for uses of amorphous silicon carbide thin films as permanent archives in optical data storage applications.