Molecular Dynamics Study of Explosive Crystallization of SiGe and Boron-Doped SiGe Alloys
Molecular Dynamics Study of Explosive Crystallization of SiGe and Boron-Doped SiGe Alloys
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SiGe及硼掺杂SiGe合金爆炸结晶的分子动力学研究
DOI：
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发表时间：
2006
期刊：
影响因子：
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通讯作者：
P. Clancy
中科院分区：
文献类型：
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作者：
Erik J. Albenze;M. Thompson;P. Clancy
利用分子动力学方法研究了SiGe合金和掺硼SiGe合金的爆炸晶化过程。对于Si 1-xGex合金的情况下，模拟表明，爆炸结晶应该发生在整个组成范围内的Si 1-xGex合金的速度足够高，以防止锗偏析。结果显示与富硅系统的实验结果定性一致：在0 - 25%锗的范围内，模拟预测了速度的非线性下降，大致匹配实验观察到的界面速度快速下降的斜率和程度。一个类似的调查硼掺杂的Si 1-xGex合金表明，在爆炸结晶过程中掺入硼的限制是强烈依赖于锗的量存在，爆炸结晶是能够限制瞬态增强扩散整个结晶过程。
Explosive crystallization of SiGe alloys and boron-doped SiGe alloys is studied using a special molecular dynamics construction developed by the authors. For the case of Si1-xGex alloys, the simulations indicate that explosive crystallization should occur over the entire compositional range of Si1-xGex alloys at velocities high enough to prevent Ge segregation. The results show qualitative agreement with experimental results for Si-rich systems: Over a range of 0−25% germanium, the simulations predicted a nonlinear decrease in velocity that roughly matches the slope and extent of the rapid drop in interface velocity observed experimentally. An analogous investigation of boron-doped Si1-xGex alloys showed that the limit of incorporation of boron during explosive crystallization is strongly dependent on the amount of germanium present and that explosive crystallization is capable of limiting transient enhanced diffusion throughout the crystallization process.