Operational Optimization of GaN Thin Film Growth Employing Numerical Simulation in a Showerhead MOCVD Reactor

A detailed reaction-tran sport model was studied in a showerhead reactor for metal organic chemical vapor deposition of GaN film by using computational fluid dynamics simulation. It was found that flat flow lines without swirl are crucial to improve the uniformity of the film growth, and thin temperature gradient above the suscptor can increase the film deposition rate. By above-mentioned research, we can employ higher h (the distance from the susceptor to the inlet), P (operational pressure) and the rate of susceptor rotation to improve the film growth.

GROWTH OF WIDE-BAND GAP IMMISCIBLE II-VI ALLOYS BY METALORGANIC VAPOR-PHASE EPITAXY

Although metalorganic vapor phase epitaxy (MOVPE) is generally regarded as a non-equillibrium process, it can be assumed that a chemical equilibrium is established at the vapor-solid interface in the diffusion limited region of growth rate. In this paper, an equilibrium model was proposed to calculate the relation between vapor and solid compositions for II-VI ternary alloys. Metastable alloys in the miscibility gap may not be obtained when the growth temperature is lower than the critical temperature of the system. The influence of growth temperature, reactor pressure, input VI/II ratio, and input composition of group VI reactants has been calculated for ZnSSe, ZnSeTe and ZnSTe. The results are compared with experimental data for the ZnSSe and ZnSTe systems.

GROWTH OF GASB AND GAASSB IN THE SINGLE-PHASE REGION BY MOVPE

GaSb layers are grown on GaSb substrates; the effects of input partial pressure of trimethylantimony and the V/III ratio are studied. A model of the MOVPE phase diagram for the growth of GaSb and GaAsxSb1-x is developed which assumes thermodynamic equilibrium to be established at the solid-vapor interface.

Study of GSMBE growth and characteristics of high-quality strained In0.63Ga0.37As/InP quantum wells

High-quality compressively strained In0.63Ga0.37As/InP quantum wells with different well widths (1-11 nm) have been grown coherently on InP substrates using a home-made gas source molecular beam epitaxy (GSMBE) system. The indium composition in the wells of the sample was determined by means of high-resolution X-ray diffraction and its computer simulation. it is found that the exciton transition energies determined by photoluminescence (PL) at 10 K are in good agreement with those calculated using a deformation potential model. Sharp and intense peaks for each well can be well resolved in the 10 K PL spectra. For wells narrower than 4 nm, the line width of the PL peaks are smaller than the theoretical values of the line-width broadening due to 1 hit interface fluctuation, showing that the interface fluctuation of our sample is within 1 ML. For wells of 7 and 9 nm, the PL peak widths are as low as 4.5 meV.

A theoretical model for the tilt of the GaAs/Si epilayers

The crystallographic tilt of the epilayers with respect to their substrates has been observed in many heteroepitaxial systems. Many models have been proposed to explain this phenomenon, but none of them is suitable for the large mismatched system, such as GaAs/Si. Here a new model is proposed for GaAs/Si epilayers, which can also be used in other large mismatched systems. The magnitude of the tilt calculated from this model coincide well with the experimental results. Especially, this model can correctly predict the tilt direction of the GaAs/Si epilayers.

Kinetics and transport model for the chemical vapor epitaxy of GexSi1-x

A numerical model that combines mass transport and surface kinetics was applied, for the first time, to the chemical vapor epitaxy of GexSi1-x. The temperature, velocity and concentration fields were calculated from the conservation equations for energy, momentum and species coupled with the boundary conditions on the growth surface which were determined by surface kinetics. The deposition rates of Si and Ge were assumed to be limited, respectively, by surface kinetics and mass transport. A theoretical relation between the initial conditions and the Ge composition in the solid was established. The calculated growth rate as well as the Ge composition in the solid and its dependence on growth temperature agree well with experimental data.

A surface structure model for Si(337)

The surface reconstruction on Si(337) at room temperature has been studied by low energy electron diffraction (LEED). It has been found that: (I) the Si(337) gave a clear LEED pattern which indicates the existence of another high index stable surface besides Si(113); (II) in addition to a strong Si(337)-(1 X 1), we observed for the first time a (2 X 1) LEED pattern indicating a surface reconstruction along the [1(1) over bar0$] direction; (III) a surface model has been proposed for the observed Si(337)-(2 X 1) structure.

Optical study of heterointerface configuration in narrow GaAs/AlGaAs single quantum wells prepared with growth interruption

Photoluminescence and time-resolved photoluminescence were used to study the heterointerface configuration in GaAs/AlGaAs quantum wells grown by molecular-beam epitaxy with growth interruption. Photoluminescence spectra of the growth-interrupted sample are characterized by multiplet structures, with energy separation corresponding to a 0.8 monolayer difference in well width, rather than 1 monolayer as expected from the ''atomically smooth island'' picture. By analyzing the thermal transfer process of the photogenerated carriers and luminescence decay process, we further exploit the exciton localization at the interface microroughness superimposed on the extended growth islands. The lateral size of the microroughness in our sample was estimated to be 5 nm, less than the exciton diameter of 15 nm. Our results strongly support the bimodal roughness model proposed by Warwick et al. [Appl. Phys. Lett. 56, 2666 (1990)]. (C) 1996 American Institute of Physics.

GROWTH INTERRUPTION INDUCED INTERFACE MICROROUGHNESS IN SINGLE QUANTUM-WELLS

Growth interruption-induced microroughness is studied by photoluminescence (PL) of single quantum wells with different well widths and interruption times. Analysis of the peak splitting in the PL spectra shows that the adjacent peak splittings correspond to well width differences smaller than one monolayer. The number of split peaks increases with increasing well width, saturating when the well width exceeds 11 monolayers. This trend correlates well with the decrease in the lateral dimension of the exciton, which corresponds roughly to the minimum optically sampled area of the interface. For a given quantum well, a plot of the normalized integrated intensities of the split PL peaks versus the well width fluctuation is well described by a Gaussian distribution with an average fluctuation smaller than one monolayer. These results are consistent with the microroughness model.

Scaling and the thermal conductivity of the Frenkel-Kontorova model

We have studied the dependence of the thermal conductivity kappa on the strength of the interparticle potential lambda and the strength of the external potential beta in the Frenkel-Kontorova model. We found that the functional relation can be expressed in a scaling form, kappa(proportional to) lambda 3/2/beta(2 center dot). This result is first obtained by nonequilibrium molecular dynamics. It is then confirmed by two analytical methods, the self-consistent phonon theory and the self-consistent stochastic reservoirs method. The thermal conductivity kappa is therefore a decreasing functon of beta and an increasing function of lambda.

Kinetic modeling of growth and biodegradation of phenol and m-cresol using Alcaligenes faecalis

A phenol-degrading. microorganism, Alcaligenes faecalis, was used to study the substrate interactions during cell growth on phenol and m-cresol dual substrates. Both phenol and m-cresol could be utilized by the bacteria as,the sole carbon and energy sources. When cells grew on the mixture of phenol and m-cresol, strong substrate interactions were observed. m-Cresol inhibited the degradation of phenol, on the other hand, phenol also inhibited the utilization of m-cresol, the overall cell growth rate was the co-action of phenol and m-cresol. In addition, the cell growth and substrate degradation kinetics of phenol, m-cresol as single and mixed substrates for A. faecalis in batch cultures were also investigated over a wide range of initial phenol concentrations (10-1400 mg L-1) and initial m-cresol concentrations (5-200 mg L-1). The single-substrate kinetics was described well using the Haldane-type kinetic models, with model constants of it mu(m1) = 0.15 h(-1), K-S1 = 2.22 mg L-1 and K-i1 = 245.37 mg L-1 for cell growth on phenol and mu(m2) = 0.0782 h(-1), K-S2 = 1.30 mg L-1 and K-i2 = 71.77 mgL(-1), K-i2' = 5480 (mg L-1)(2) for cell growth on m-cresol. Proposed cell growth kinetic model was used to characterize the substrates interactions in the dual substrates system, the obtained parameters representing interactions between phenol and m-cresol were, K = 1.8 x 10(-6), M = 5.5 x 10(-5), Q = 6.7 x 10(-4). The results received in the experiments demonstrated that these models adequately described the dynamic behaviors of phenol and m-cresol as single and mixed substrates by the strain of A. faecalis.

Thermodynamic model of helium and hydrogen co-implanted silicon surface layer splitting

A thermodynamic model of the evolution of microcracks in silicon caused by helium and hydrogen co-implantation during annealing was studied. The crack growth rate relies on the amount of helium atoms and hydrogen molecules present. Here, the crack radius was studied as a function of annealing time and temperature, and compared with experimental results. The mean crack radius was found to be proportional to the annealing temperature and the helium and hydrogen implanted fluence. The gas desorption should be considered during annealing process. (C) 2009 Elsevier B.V. All rights reserved.

A model study on carbon cycle and phytoplankton dynamical processes in the Bohai Sea

The carbon cycle of lower trophic level in the Bohai Sea is studied with a three-dimension-al biological and physical coupled model. The influences of the processes (including horizontal advection,river nutrient load, active transport etc. ) on the phytoplankton biomass and its evolution are estimated.The Bohai Sea is a weak sink of the CO2 in the atmosphere. During the cycle, 13.7% of the gross pro-duction of the phytoplankton enter the higher trophic level and 76.8 % of it are consumed by the respira-tion itself. The nutrient reproduction comes mainly from the internal biogeochemical loop and the rem-ineralization is an important mechanism of the nutrient transfer from organic form to inorganic. Horizon-tal advection decreases the total biomass and the eutrophication in some sea areas. Change in the nutrientload of a river can only adjust the local system near its estuary. Controlling the input of the nutrient,which limits the alga growth, can be very useful in lessening the phytoplankton biomass.

Simulated morphological landscape of polymer single crystals by phase-field model

The novel phase field model with the "polymer characteristic" was established based on a nonconserved spatiotemporal Ginzburg-Landau equation (TDGL model A). Especially, we relate the diffusion equation with the crystal growth faces of polymer single crystals. Namely, the diffusion equations are discretized according to the diffusion coefficient of every lattice site in various crystal growth faces and the shape of lattice is selected based on the real proportion of the unit cell dimensions.

Potential Landscape and Flux Framework of Nonequilibrium Networks: Robustness, Dissipation, and Coherence of Biochemical Oscillations

We established a theoretical framework for studying nonequilibrium networks with two distinct natures essential for characterizing the global probabilistic dynamics: the underlying potential landscape and the corresponding curl flux. We applied the idea to a biochemical oscillation network and found that the underlying potential landscape for the oscillation limit cycle has a distinct closed ring valley (Mexican hat-like) shape when the fluctuations are small. This global landscape structure leads to attractions of the system to the ring valley.