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首页> 外文会议>Ninth International Symposium on Silicon Materials Science and Technology, Vol.2, May 13-17, 2002, Philadelphia >UNIFIED THEORY OF THERMAL SILICON OXIDE GROWTH
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UNIFIED THEORY OF THERMAL SILICON OXIDE GROWTH

机译：热氧化硅生长的统一理论

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摘要

We describe a unified simulation of thermal silicon oxidation. First, we investigate the atomistic mechanism of silicon oxidation by first-principles calculations. The results indicate that a large number of Si species are emitted to release the oxidation-induced strain and that most of them diffuse into the oxide layer and are oxidized there. Based on these results, we propose a model that the emitted Si species in the oxide govern the oxidation rate due to their high concentration. Next, based on the model, we construct the macroscopic diffusion equations, which include Si diffusion species in addition to oxidant species. We successfully simulate the whole range of oxide thickness, including the thin film regime, in a wide range of oxidation temperatures and pressures for dry and wet oxidation of (100) and (111) substrates. In addition, dry oxidation with the addition of water and chlorine is simulated and the effect of H and Cl on oxidation is investigated.
机译：我们描述了热硅氧化的统一模拟。首先，我们通过第一性原理计算研究了硅氧化的原子机理。结果表明，释放出大量的Si物质以释放由氧化引起的应变，并且大多数Si物质扩散到氧化层中并在该处被氧化。基于这些结果，我们提出了一个模型，该模型认为氧化物中所释放的Si物种由于其高浓度而决定着氧化速率。接下来，基于该模型，我们构造了宏观扩散方程，该方程包括除氧化剂物种外的Si扩散物种。我们成功地模拟了在（100）和（111）基板的干法和湿法氧化的各种氧化温度和压力范围内的整个厚度范围的氧化物，包括薄膜状态。此外，模拟了添加水和氯的干法氧化，并研究了H和Cl对氧化的影响。

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