Correlation between Er3+ emission and Si clusters in Erbium-doped a-SiOx : H films

Erbium-doped hydrogenated amorphous silicon suboxide films containing silicon clusters (a-SiOx:H) were prepared. The samples exhibited photoluminescence (PL) peaks at around 750nm and 1.54 mu m, which could be assigned to the electron-hole recombination in silicon clusters and the intra-4f transition in Er3+, respectively. We compared annealing behaviors of Si clusters and Er3+ emission and found that Si clusters emission depends strongly upon crystallinity of Si clusters, whereas Er3+ emission is not sensitive to whether it is Si nanocrystals (nc-Si) or amorphous Si (a-Si) clusters. The erbium-doped a-SiOx:H films containing either a-Si clusters or nc-Si have the same kind of Er3+ -emitting centers. Based on these results, it is concluded that a-Si clusters can play the same role on Er3+ excitation as nc-Si. (c) 2004 Elsevier B.V. All rights reserved.

Study on Er3+ emission from the erbium-doped hydrogenated amorphous silicon suboxide film

The erbium-doped hydrogenated amorphous silicon suboxide films containing amorphous silicon clusters were prepared. The samples exhibited photoluminescence peaks at around 750 nm and 1.54 mum, which could be assigned to the electron-hole recombination in amorphous silicon clusters and the intra-4f transition in Er3+, respectively. Correlations between the intensities of these two photoluminescence peaks and oxidation and dehydrogenation of the films during annealing were studied. It was found that the oxidation is triggered by dehydrogenation of the films even at low annealing temperatures, which decisively changes the intensities of the two photoluminescence peaks. On the other hand, the increase of Er content in the erbium-doped hydrogenated amorphous silicon suboxide film will enhance Er3+ emission at 1.54 mum, while quench amorphous silicon cluster emission at 750 nm, such a competitive relationship, was also observed in the erbium-doped silicon nanocrystals embedded in SiO2 matrix. Moreover, we found that Er3+ emission is not sensitive to whether silicon clusters are crystalline or amorphous. The amorphous silicon clusters can be as sensitizer on Er3+ emission as that of silicon nanocrystals. (C) 2003 American Institute of Physics.

Effect of rapid thermal annealing and hydrogen plasma treatment on the microstructure and light-emission of silicon-rich oxide film

Silicon-rich silicon oxide (SRSO) films are prepared by plasma-enhanced chemical vapor deposition method at the substrate temperature of 200degreesC. The effect of rapid thermal annealing and hydrogen plasma treatment on tire microstructure and light-emission of SRSO films are investigated in detail using micro-Raman spectroscopy, Fourier transform infrared (FTIR) spectroscopy and photoluminescence (PL) spectra. It is found that the phase-separation degree of the films decreases with increasing annealing temperature from 300 to 600degreesC, while it increases with increasing annealing temperature from 600 to 900degreesC. The light-emission of the films are enhanced with increasing annealing temperature up to 500degreesC, while it is rapidly reduced when the annealing temperature exceeds 600degreesC. The peak position of the PL spectrum blueshifts by annealing at the temperature of 300degreesC, then it red-shifts with further raising annealing temperature. The following hydrogen plasma treatment results in a disproportionate increase of the PL intensity and a blueshift or redshift of the peak positions, depending on the pristine annealing temperature. It is thought that the size of amorphous silicon clusters, surface structure of the clusters and the distribution of hydrogen in the films can be changed during the annealing procedure. The results indicate that not only cluster size but also surface state of the clusters plays an important role in the determination of electronic structure of the amorphous silicon cluster and recombination process of light-generated carriers.

LUMINESCENCE-CENTERS IN POROUS SILICON

Photoluminescence studies on porous silicon show that there are luminescence centers present in the surface states. By taking photoluminescence spectra of porous silicon with respect to temperature, a distinct peak can be observed in the temperature range 100-150 K. Both linear and nonlinear relationships were observed between excitation laser power and the photoluminescence intensity within this temperature range. In addition, there was a tendency for the photoluminescence peak to red shift at low temperature as well as at low excitation power. This is interpreted as indicating that the lower energy transition becomes dominant at low temperature and excitation power. The presence of these luminescence centers can be explained in terms of porous silicon as a mixture of silicon clusters and wires in which quantum confinement along with surface passivation would cause a mixing of Gamma and X band structure between the surface states and the bulk. This mixing would allow the formation of luminescence centers.

Au@Si-n: Growth behavior, stability and electronic structure

The configurations, stability, and electronic structure of AuSin (n = 1-16) clusters have been investigated within the framework of the density functional theory at the B3PW91/LanL2DZ and PW91/DNP levels. The results show that the Au atom begins to occupy the interior site for cages as small as Si-11 and for Si-12 the Au atom completely falls into the interior site forming Au@Si-12 cage. A relatively large embedding energy and small HOMO-LUMO gap are also found for this Au@Si-12 structure indicating enhanced chemical activity and good electronic transfer properties. All these make Au@Si-12 attractive for cluster-assembled materials.

Annealing behaviors of photoluminescence from SiOx : H

The strong photoluminescence (PL) of SiOx:H prepared by plasma enhanced chemical vapor deposition has been systematically studied in conjunction with infrared and micro-Raman spectra. We have found that each PL spectrum is comprised of two Gaussian components, a main band and a shoulder. The main band might originate from amorphous silicon clusters embedded in die SiOx network, and its redshift with annealing temperature is due to expansion of the silicon clusters. The shoulder remains at about 835 nm in spite of the annealing temperature and possibly comes from luminescent defect centers. The enhanced PL spectra after 1170 degrees C annealing are attributed to the quantum confinement effects of nanocrystalline silicon embedded in the SiO2 matrix. (C) 1998 American Institute of Physics.

Electronic structures and chemical bonding in transition metal monosilicides MSi (M=3d, 4d, 5d elements)

Bond distances, vibrational frequencies, electron affinities, ionization potentials, dissociation energies, and dipole moments of the title molecules in neutral, positively, and negatively charged ions were studied using the density functional method. Ground state was assigned for each species. The bonding patterns were analyzed and compared with both the available data and across the series. It was found that besides an ionic component, covalent bonds are formed between the metal s, d orbitals and the silicon 3p orbital. The covalent character increases from ScSi (YSi) to NiSi (PdSi) for 3d (4d) metal monosilicides, then decreases. For 5d metal monosilicides, the covalent character increases from LaSi to OsSi, then decreases. For the dissociation of cations, the dissociation channel depends on the magnitude of the ionization potential between metal and silicon. If the ionization potential of the metal is smaller than that of silicon, channel MSi+-> M++Si is favored. Otherwise, MSi+-> M+Si+ will be favored. A similar behavior was observed for anions, in which the dissociation channel depends on the magnitude of electron affinity.

Theoretical study of interaction between atoms of Au, Ag, Cu and clean Si(111) surface

To evaluate the interactions between the atoms of An, Ag and Cu and clean Si(111) surface, two types of silicon clusters Si4H7 and Si16H20 together with their metal complexes were studied by using hybrid (U)B3LYP density functional theory method. Optimized geometries and energies on different adsorption sites indicate that: (1) the binding energies at different adsorption sites are large (ranging from similar to 1.2 to 2.6 eV depend on the metal atoms and adsorption sites), suggesting a strong interaction between metal atom and silicon surface; (2) the most favorable adsorption site is the on top (T) site. Mulliken population analysis indicated that in the system of on top (T) site, a covalent bond is formed between metal atom and dangling bond of surface Si atom. (c) 2006 Elsevier B.V. All rights reserved.

Photoluminescence from Ge clusters embedded in porous silicon

Visible photoluminescence (PL) and Raman spectra of Ge clusters embedded in porous silicon (PS) have been studied. The as-prepared sample shows redshifted and enhanced room temperature PL relative to reference PS. This result can be explained by the quantum confinement effect on excitons in Ge clusters and tunnel of excitons from Si units of the PS skeleton to Ge clusters. One year storage in dry air results in a pronounced decrease in PL intensity but blue-shifted in contrast to reference PS. This phenomenon correlates to the size decrease of macerated Ce clusters and occurrence of "quantum depletion" in Ge clusters. Consequently, only excitons in Si units contribute to PL. (C) 1998 American Institute of Physics.

Effects of Thermocapillary Convection on the Growth Process in Industrial 8-inch Silicon Czochralski Growth

Czochralski (CZ) crystal growth process is a widely used technique in manufacturing of silicon crystals and other semiconductor materials. The ultimate goal of the IC industry is to have the highest quality substrates, which are free of point defect, impurities and micro defect clusters. The scale up of silicon wafer size from 200 mm to 300 mm requires large crucible size and more heat power. Transport phenomena in crystal growth processes are quite complex due to melt and gas flows that may be oscillatory and/or turbulent, coupled convection and radiation, impurities and dopant distributions, unsteady kinetics of the growth process, melt crystal interface dynamics, free surface and meniscus, stoichiometry in the case of compound materials. A global model has been developed to simulate the temperature distribution and melt flow in an 8-inch system. The present program features the fluid convection, magnetohydrodynamics, and radiation models. A multi-zone method is used to divide the Cz system into different zones, e.g., the melt, the crystal and the hot zone. For calculation of temperature distribution, the whole system inside the stainless chamber is considered. For the convective flow, only the melt is considered. The widely used zonal method divides the surface of the radiation enclosure into a number of zones, which has a uniform distribution of temperature, radiative properties and composition. The integro-differential equations for the radiative heat transfer are solved using the matrix inversion technique. The zonal method for radiative heat transfer is used in the growth chamber, which is confined by crystal surface, melt surface, heat shield, and pull chamber. Free surface and crystal/melt interface are tracked using adaptive grid generation. The competition between the thermocapillary convection induced by non-uniform temperature distributions on the free surface and the forced convection by the rotation of the crystal determines the interface shape, dopant distribution, and striation pattern. The temperature gradients on the free surface are influenced by the effects of the thermocapillary force on the free surface and the rotation of the crystal and the crucible.

Magnetic silicon fullerene

A metal-encapsulating silicon fullerene, Eu@Si-20, has been predicted by density functional theory to be by far the most stable fullerene-like silicon structure. The Eu@Si-20 structure is a dodecahedron with D-2h symmetry in which the europium atom occupies the center site. The calculated results show that the europium atom has a large magnetic moment of nearly 7.0 Bohr magnetons. In addition, it was found that a stable "pearl necklace" nanowire, constructed by concatenating a series of Eu@Si-20 units, with the central europium atom, retains the high spin moment. The magnetic structure of the nanowire indicates potential applications in the fields of spintronics and high-density magnetic storage.

Amorphous silicon carbide films prepared by H-2 diluted silane-methane plasma

This paper reports on the preparation and characterization of hydrogenated amorphous silicon carbide films prepared by H-2 diluted silane-methane plasma. Carbon-rich a-SiC:H film with band gap of up to 3.3 eV has been achieved. IR and UV Vis spectra were employed to characterize the chemical bonding and optical properties of as-prepared films. It is shown that hydrogen dilution is crucial in obtaining these wide band gap carbon-rich films. Raman and PL measurements were performed to probe the microstructure and photoelectronic properties of these films before and after annealing. Films with intermediate carbon concentration seem more defective and exhibit stronger photoluminescence and subband absorption than others. Films with different compositions exhibit different annealing behaviours. For silicon rich and carbon rich films, high temperature annealing results in the formation of silicon crystallites and graphite clusters, respectively. (C) 2003 Elsevier B.V. All rights reserved.

Temperature dependence of the formation of nano-scale indium clusters in InAlGaN alloys on Si(111) substrates

The temperature dependence of the formation of nano-scale indium clusters in InAlGaN quaternary alloys, which are grown by metalorganic chemical vapour deposition on GaN/Si(111) epilayers, is investigated. Firm evidence is provided to support the existence of phase separation, or nano-scale In-rich clusters, by the combined results of high-resolution transmission electron microscopy (HRTEM), high-resolution x-ray diffraction (HRXRD) and micro-Raman spectra. The results of HRXRD and Raman spectra indicate that the degree of phase separation is strong and the number of In clusters in the InAlGaN layers on silicon substrate is higher at lower growth temperatures than that at higher growth temperatures, which limits the In and Al incorporated into the InAlGaN quaternary alloys. The detailed mechanism of luminescence in this system is studied by low temperature photoluminescence (LT-PL). We conclude that the ultraviolet (UV) emission observed in the quaternary InAlGaN alloys arises from the matrix of a random alloy, and the second emission peak in the blue-green region results from the nano-scale indium clusters.

Microscopic analysis of defects in a high resistivity silicon detector irradiated to 1.7x10(15)n/cm(2)

Current-based microscopic defect analysis methods with optical filling techniques, namely current deep level transient spectroscopy (I-DLTS) and thermally stimulated current (TSC), have been used to study defect levels in a high resistivity silicon detector (p(+)-n-n(+)) induced by very high fluence neutron (VHFN) irradiation (1.7x10(15) n/cm(2)). As many as fourteen deep levels have been detected by I-DLTS. Arrhenius plots of the I-DLTS data have shown defects with energy levels ranging from 0.03 eV to 0.5 eV in the energy band gap. Defect concentrations of relatively shallow levels (E(t) < 0.33 eV) are in the order of 10(13)cm(-3), while those for relatively deep levels (E(t) > 0.33 eV) are in the order of 10(14) cm(-3). TSC data have shown similar defect spectra. A full depletion voltage of about 27,000 volts has been estimated by C-V measurements for the as-irradiated detector, which corresponds to an effective space charge density (N-eff) in the order of 2x10(14) cm(-3). Both detector leakage current and full depletion voltage have been observed to increase with elevated temperature annealing (ETA). The increase of the full depletion voltage corresponds to the increase of some deep levels, especially the 0.39 eV level. Results of positron annihilation spectroscopy have shown a decrease of total concentration of vacancy related defects including vacancy clusters with ETA, suggesting the breaking up of vacancy clusters as possible source of vacancies for the formation of single defects during the reverse anneal.

Net-like Ferromagnetic Mnsb Film Deposited on Porous Silicon Substrates

MnSb films were deposited on porous silicon substrates by physical vapor deposition (PVD) technique. Modulation effects due to the substrate on microstructure and magnetic properties of the MnSb film's were studied by scanning electron microscope (SEM), X-ray diffraction (XRD) and measurements of hysteresis loops. SEM images of the MnSb films indicate that net-like structures were obtained because of the special morphology of the substrates. The net-like MnSb films exhibit some novel magnetic properties different from the unpatterned referenced samples. For example, in the case of net-like morphology, the coercive field is as low as 60 Oe.