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Thermodynamics and phase stability in the Si-O system [Review]

机译:Si-O系统中的热力学和相稳定性[综述]

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A comprehensive thermodynamic assessment has been carried out on the phases SiO2(L), including SiO2(glass), the amorphous monoxide SiO(am) and on the solubility of oxygen in solid and liquid silicon, jointly with the equilibrium partition coefficient k. Contradictions in the sparse thermodynamic data of SiO(am) are pointed out. Our key experiments were performed on the decomposition and condensation of SiO(am). X-ray diffraction on samples heated in evacuated silica capsules was used. The condensation experiment was performed in local equilibrium on a silica rod in a commercial CZ-Si apparatus. With the Calphad method a complete set of Gibbs energy equations was developed for the phase SiO2(L), comprising glass, supercooled liquid and stable liquid silica, the phase SiO(am) and the solid and liquid silicon solution phases. Combining this with the data for crystalline silica and the gas phase, a consistent thermodynamic description of the entire Si-O system is constructed, covering the complete composition range. Based on that, a number of stable and metastable phase diagrams at various pressures are calculated and applied to better understand important process steps in the production of semiconductor silicon. [References: 244]
机译:结合平衡分配系数k,对包括SiO2(玻璃),无定形一氧化硅SiO(am)在内的SiO2(L)相,以及氧在固体和液体硅中的溶解度进行了全面的热力学评估。指出了SiO(am)稀疏热力学数据的矛盾。我们的主要实验是对SiO(am)的分解和缩合进行的。使用在真空二氧化硅胶囊中加热的样品的X射线衍射。缩合实验是在市售CZ-Si设备中的二氧化硅棒上以局部平衡进行的。使用Calphad方法,针对SiO2(L)相开发了一套完整的Gibbs能量方程,包括玻璃,过冷液体和稳定的液态二氧化硅,SiO(am)相以及固液相硅溶液相。将此与结晶二氧化硅和气相数据相结合,可构成整个Si-O系统的一致热力学描述,涵盖整个组成范围。基于此,计算并应用了多种在各种压力下稳定且亚稳态的相图,以更好地理解半导体硅生产中的重要工艺步骤。 [参考:244]

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