Molecular Dynamics Study Of Mechanical Behaviour Of Screw Dislocation During Cutting With Diamond Tip On Silicon

By means of Tersoff and Morse potentials, a three-dimensional molecular dynamics simulation is performed to study atomic force microscopy cutting on silicon monocrystal surface. The interatomic forces between the workpiece and the pin tool and the atoms of workpiece themselves are calculated. A screw dislocation is introduced into workpiece Si. It is found that motion of dislocations does not occur during the atomic force microscopy cutting processing. Simulation results show that the shear stress acting on dislocation is far below the yield strength of Si.

Numerical Study on Flow Field and Temperature Distribution in Growth Process of 200 mm Czochralski Silicon Crystals

The melt flow and temperature distribution in a 200 mm silicon Czochralski furnace with a cusp magnetic field was modeled and simulated by using a finite-volume based FLUTRAPP ( Fluid Flow and Transport Phenomena Program) code. The melt flow in the crucible was focused, which is a result of the competition of buoyancy, the centrifugal forces caused by the rotations of the crucible and crystal, the thermocapillary force on the free surfaces and the Lorentz force induced by the cusp magnetic field. The zonal method for radiative heat transfer was used in the growth chamber, which was confined by the crystal surface, melt surface, crucible, heat shield, and pull chamber. It was found that the cusp magnetic field could strength the dominant counter-rotating swirling flow cell in the crucible and reduce the flow oscillation and the pulling-rate fluctuation. The fluctuation of dopant and oxygen concentration in the growing crystal could thus be smoothed.

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.

Shape effects on the yield stress and deformation of silicon nanowires: A molecular dynamics simulation

The tension and compression of single-crystalline silicon nanowires (SiNWs) with different cross-sectional shapes are studied systematically using molecular dynamics simulation. The shape effects on the yield stresses are characterized. For the same surface to volume ratio, the circular cross-sectional SiNWs are stronger than the square cross-sectional ones under tensile loading, but reverse happens in compressive loading. With the atoms colored by least-squares atomic local shear strain, the deformation processes reveal that the failure modes of incipient yielding are dependent on the loading directions. The SiNWs under tensile loading slip in {111} surfaces, while the compressive loading leads the SiNWs to slip in the {110} surfaces. The present results are expected to contribute to the design of the silicon devices in nanosystems.

The mechanism of PEO process on Al–Si alloys with the bulk primary silicon

This study focuses on mechanism of ceramic coating on Al-Si alloys with bulk primary Si using plasma electrolytic oxidation (PEO) technology. Al-Si alloys with 27-32% Si in weight were used as substrates. The morphologies, composition and microstructure of PEO coatings were investigated by scanning electron microscopy (SEM) with energy dispersive X-ray system (EDX). Results showed that the PEO process had four different stages. The effect of bulk Si is greatly on the morphology and composition of coatings at first three stages. Anodic oxide films formed on Al and Si phases, respectively. When the voltage exceeded 40 V, glow appeared and concentrated on the localized zone of interface of Al and Si phase. Al-Si-O compounds formed and covered on the dendrite Si phase surface, and the coating on bulk Si, which was silicon oxide, was rougher than that on other phase. If the treatment time was long enough, the coatings with uniform surface morphologies and elements distribution will be obtained but the microstructure of inner layer is looser due to the bulk Si.

Numerical and experimental analysis on green laser crystallization of amorphous silicon thin films

The effect of laser fluence on the crystallization of amorphous silicon irradiated by a frequency-doubled Nd:YAG laser is studied both theoretically and experimentally. An effective numerical model is set up to predict the melting threshold and the optimized laser fluence for the crystallization of 200-nm-thick amorphous silicon. The variation of the temperature distribution with time and the melt depth is analyzed. Besides the model, the Raman spectra of thin films treated with different fluences are measured to confirm the phase transition and to determine the optimized fluence. The calculating results accord well with those obtained from the experimental data in this research. (C) 2008 Elsevier Ltd. All rights reserved.

Effect of surface treatment of GaN based light emitting diode wafers on the leakage current of light emitting diode devices

To form low-resistance Ohmic contact to p-type GaN, InGaN/GaN multiple quantum well light emitting diode wafers are treated with boiled aqua regia prior to Ni/Au (5 nm/5 nm) film deposition. The surface morphology of wafers and the current-voltage characteristics of fabricated light emitting diode devices are investigated. It is shown that surface treatment with boiled aqua regia could effectively remove oxide from the surface of the p-GaN layer, and reveal defect-pits whose density is almost the same as the screw dislocation density estimated by x-ray rocking curve measurement. It suggests that the metal atoms of the Ni/Au transparent electrode of light emitting diode devices may diffuse into the p-GaN layer along threading dislocation lines and form additional leakage current channels. Therefore, the surface treatment time with boiled aqua regia should not be too long so as to avoid the increase of threading dislocation-induced leakage current and the degradation of electrical properties of light emitting diodes

Interface as the origin of ferromagnetism in cobalt doped ZnO film grown on silicon substrate

We have investigated the magnetic properties of Co-doped zinc oxide (ZnO) film deposited on silicon substrate by magnetron sputtering. Co ions have a valence of 2+ and substitute for Zn sites in the lattice. By using a chemical etching method, an extrinsic ferromagnetism was demonstrated. The observed ferromagnetism is neither associated with magnetic precipitates nor with contamination, but originates from the silicon/silicon oxide interface. This interface ferromagnetism is characterized by being temperature independent and by having a parallel magnetic anisotropy. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2989128]

A comparison of silicon oxide and nitride as host matrices on the photoluminescence from Er3+ ions

This paper compares the properties of silicon oxide and nitride as host matrices for Er ions. Erbium-doped silicon nitride films were deposited by a plasma-enhanced chemical-vapour deposition system. After deposition, the films were implanted with Er3+ at different doses. Er-doped thermal grown silicon oxide films were prepared at the same time as references. Photoluminescence features of Er3+ were inspected systematically. It is found that silicon nitride films are suitable for high concentration doping and the thermal quenching effect is not severe. However, a very high annealing temperature up to 1200 degrees C is needed to optically activate Er3+ which may be the main obstacle to impede the application of Er-doped silicon nitride.

Room temperature photoluminescence of tensile-strained Ge/Si0.13Ge0.87 quantum wells grown on silicon-based germanium virtual substrate

We report a room temperature study of the direct band gap photoluminescence of tensile-strained Ge/Si0.13Ge0.87 multiple quantum wells grown on Si-based germanium virtual substrates by ultrahigh vacuum chemical vapor deposition. Blueshifts of the luminescence peak energy from the Ge quantum wells in comparison with the Ge virtual substrate are in good agreement with the theoretical prediction when we attribute the luminescence from the quantum well to the c Gamma 1-HH1 direct band transition. The reduction in direct band gap in the tensile strained Ge epilayer and the quantum confinement effect in the Ge/Si0.13Ge0.87 quantum wells are directly demonstrated by room temperature photoluminescence.

Wavelength conversion based on degenerate-four-wave-mixing with continuous-wave pumping in silicon nanowire waveguide

We present a comprehensive numerical study on the all-optical wavelength conversion based on the degenerate four-wave-mixing with continuous-wave pumping in the silicon nanowire waveguide. It is well known that the conversion efficiency and the 3-dB bandwidth can be greatly affected by the phase-matching condition. Through proper design of the waveguide cross-section, its dispersion property can be adjusted to satisfy the phase-matching condition and therefore effective wavelength conversion can be achieved in a large wavelength range. Generally, the group velocity dispersion plays a dominant role in the wavelength conversion. However, the fourth-order dispersion takes an important effect on the wavelength conversion when the group velocity dispersion is near the zero-point. Furthermore, the conversion efficiency and the 3-dB bandwidth can also be affected by the interactive length and the initial pump power. Through the numerical simulation, the optimal values for the interactive length and the initial pump power, which are functions of the propagation loss, are obtained to realize the maximum conversion efficiency. (C) 2008 Elsevier B.V. All rights reserved.

Effects of waveguide length and pump power on the efficiency of wavelength conversion in silicon nanowire waveguides

We point out the use of a wrong definition for conversion efficiency in the literature and analyze the effects of the waveguide length and pump power on conversion efficiency according to the correct definition. The existence of the locally optimal waveguide length and pump power is demonstrated theoretically and experimentally. Further analysis shows that the extremum of conversion efficiency can be achieved by global optimization of the waveguide length and pump power simultaneously, which is limited by just the linear propagation loss and the effective carrier lifetime. (C) 2009 Optical Society of America

Impact of hydrogen dilution on microstructure and optoelectronic properties of silicon films deposited using tirisilane

We explored the deposition of hydrogenated amorphous silicon (a-Si: H) using trisilane (Si3H8) as a gas precursor in a radiofrequency plasma enhanced chemical vapour deposition process and studied the suitability of this material for photovoltaic applications. The impact of hydrogen dilution on the deposition rate and microstructure of the films is systematically examined. Materials deposited using trisilane are compared with that using disilane (Si2H6). It is found that when using Si3H8 as the gas precursor the deposition rate increases by a factor of similar to 1.5 for the same hydrogen dilution (R = [H-2]/[Si3H8] or [H-2]/[Si2H6])- Moreover, the structural transition from amorphous to nanocrystalline occurs at a higher hydrogen dilution level for Si3H8 and the transition is more gradual as compared with Si2H6 deposited films. Single-junction n-i-p a-Si: H solar cells were prepared with intrinsic layers deposited using Si3H8 or Si2H6. The dependence of open circuit voltage (V-oc) on hydrogen dilution was investigated. V-oc greater than 1 V can be obtained when the i-layers are deposited at a hydrogen dilution of 180 and 100 using Si3H8 and Si2H6, respectively.