硅氮氧化物相的组成：一项全面的热力学建模研究
Phase compositions of Si oxynitride: A comprehensive thermodynamic modeling study
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中文总结 AI 辅助
本研究通过热力学建模，系统分析了非晶SiOxNy薄膜的相组成随化学计量和制备温度的变化，构建了相图并揭示了相态转变机制，为定制薄膜性能提供了理论依据。
中文摘要 AI 辅助
本研究提出了非晶SiOxNy（0 ≤ x ≤ 2，0 ≤ y ≤ 4/3）薄膜中相形成随薄膜化学成分和制备温度变化的全面的热力学描述。根据吉布斯自由能的最低值，分析了两种可能的相态，即均匀的单相硅氮氧化物和硅氧化物与硅氮化物相的两相混合物。确定了改变SiOxNy化学计量指数和制备温度时相组成变化的特征。此外，揭示了两相硅氮氧化物中硅氧化物和硅氮化物相化学成分的特征。特别关注了不同SiOxNy相态之间边界的热力学起源，以及确定分隔它们的临界化学计量值。构建了一个全面的相图，指示了作为制备温度函数的单相和两相SiOxNy区域。结合该相图，讨论了不同SiOxNy相态之间转变的特殊性及其潜在机制。所得结果拓展了我们对硅氮氧化物薄膜基本性质及其对薄膜制备条件依赖性的理解，并可用于根据实际应用定制SiOxNy特性。
英文摘要
In this work, a comprehensive thermodynamic description of the formation of phases in amorphous SiOxNy (0 <= x <= 2, 0 <= y <= 4/3) films as a function of the film chemical composition and fabrication temperature is presented. Two possible phase states, namely homogeneous single-phase Si oxynitride and two-phase mixture of Si oxide and Si nitride phases, are analyzed in terms of the lowest values of the Gibbs free energy. The characters of the modification of the phase composition upon changing the SiOxNy stoichiometry indices and fabrication temperature are determined. Moreover, characteristic features of the chemical composition of the Si oxide and Si nitride phases in two-phase Si oxynitrides are revealed. Particular attention is given to the thermodynamic origin of the boundaries between different phase states of the SiOxNy films and to determining the critical stoichiometry values separating them. A comprehensive phase diagram indicating single- and two-phase SiOxNy regions as functions of the fabrication temperature is constructed. The peculiarities of the transitions between different SiOxNy phase states, along with underlying mechanisms, are discussed with reference to this phase diagram. The obtained results extend our understanding of the fundamental properties of Si oxynitride films and their dependence on the film fabrication conditions, and may be used for tailoring SiOxNy characteristics for practical applications.
发表机构
- V. Lashkaryov Institute of Semiconductor Physics, National Academy of Sciences of Ukraine（乌克兰国家科学院瓦·拉什卡拉诺夫半导体物理研究所）
- Educational Scientific Institute of High Technologies, Taras Shevchenko National University of Kyiv（基辅塔拉斯舍甫琴科国立大学高等技术教育科学研究所）
- National Technical University of Ukraine “Igor Sikorsky Kyiv Polytechnic Institute”（乌克兰国立技术大学“伊戈尔·西科尔斯基基辅理工学院）
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