采用专业晶体生长数值模拟软件CrysMas,模拟了垂直梯度凝固法(VGF)生长4英寸GaAs单晶过程中的固液界面形状,发现晶体在生长过程中固液界面形状经历了由凹到凸的变化.数值模拟结果表明熔体中和晶体中的轴向温度梯度之比小于0.4时,固液界面为凸向熔体,与理论推导结果一致.模拟了晶体生长过程中固液界面附近的晶体中的热应力值,发现固液界面为平界面时晶体中的热应力具有最小值.推导计算了VGF GaAs单晶生长过程中固液界面凹(凸)度的临界值,当固液界面凹(凸)度小于该值时,晶体中的热应力低于临界剪切应力.
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