Heat and mass transfer during crystal growth of bulk Si and nitrides by using numerical analysis was studied. A three-dimensional analysis was carried out to investigate temperature distribution and solid-liquid interface shape of silicon for large-scale integrated circuits and photovoltaic silicon. The analysis enables prediction of the solid-liquid interface shape of silicon crystals. The result shows that the interface shape became bevel like structure in the case without crystal rotation. We also carried out analysis of nitrogen transfer in gallium melt during crystal growth of gallium nitride using liquid-phase epitaxy. The result shows that the growth rate at the center was smaller than that at the center.
The effect of impurity concentration on thermal conductivity of natural and isotope silicon by using equilibrium molecular dynamics simulation is investigated. It was found that the concentrations of the impurities such as boron, phosphor and arsene play an important role in the propagation of phonons in silicon crystals. It was also clarified that a mass difference of impurities and host crystals results in degradation of thermal conductivity of silicon.
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