多晶矽攣生成核的相場模擬

Abstract

我們實驗室的學長Tapas Jain成功地利用相場模式來模擬多晶矽生長過程中晶界間的交互作用與發展，他成功地考慮了CSL晶界間的交互作用，CSL晶界與Non-晶界的交互作用，以及Non-晶界間的交互作用。但在Jain模擬的過程中，他並未使用真實的實驗數據來給定模擬時晶體的晶相，若要更進一步地討論真實的實驗結果，則模擬時給定晶體晶相的方式就必須要做修改。此外，在Jain的相場模式中他並未考慮成核的現象，因此，利用相場模式來模擬3晶粒交接觸的成核現象仍是一個未被完成的議題。在本篇論文中，我們將Jain的相場模式推廣至能夠使用實驗的數據來給定模擬時的晶相，並加入成核的模式。我們進一步地將模擬的結果和實驗上所觀察到的成核現象做比較，並得到了相似的結果。

Three dimensional (3D) modelling of the grain boundary (GB) interaction and evolution based on phase fields proposed by Jain, who is a senior in our lab, by considering anisotropic GB energy and mobility for mc-Si is carried out for the first time to elucidate the process. He successfully simulated the GB interaction between the coincident site lattice (CSL) GBs, the interaction between the CSL GB and Non- GB, and the interaction between Non- GBs. But in Jain’s simulation, he did not consider the experimental data to set the orientation of the grain. If we want to consider real experimental results, a few modification to the method used to set the orientation of the grain might be necessary. Moreover, Jain did not consider the twin grain formation in his phase field model (PFM). Therefore, the twin grain formation at 3-grain trijunction remains an important task to be simulated by PFM. In this thesis, the phase field model proposed by Jain is extended to set the orientation of the grain from experimental data and consider the twin grain formation. We further utilize the modified phase filed model to replicate four experimental cases and confirm its consistence with our simulation results.