利用红外光谱、原子力显微镜和聚类模型计算对磷硅酸盐玻璃进行了研究

M. Bercu, C. Moldovan, R. Gavrila, B. Bercu, O. Ligor
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摘要

磷硅酸盐玻璃(PSG)在微技术和微加工中的许多应用都要求控制其含磷量。这项研究主要基于光谱学和量子计算。重点关注P=O键的形成以及相应的化学氧化物结构的变化。利用红外光谱分析方法,研究了沉积在c-Si上的CVD薄膜的表征与PH/sub 3/分压与PSG薄膜中磷的掺入量之间的关系。AFM分析表明,老化样品由于吸水导致P=O和O- sio /sub - 3/键水解,形成海绵状结构。采用基于LCAO Hartree Fock理论的簇模型方法,利用特定的原子簇模型计算了P=O和O-P-O基团周围的振动模态。这一贡献处理了PSG薄膜中磷原子最近环境的化学结构与红外光谱所显示的特征之间的一些联系。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Investigations on phosphosilicate glass by using IR, AFM and cluster model calculation
Many applications of phosphosilicate glass (PSG) in microtechnology and in micro-machining, require the control of phosphorous content. This study is based mainly on optical spectroscopy and quantum calculations. It focuses on P=O bond formation and the corresponding changes of the chemical oxide structure. The characterisation of CVD thin films deposited on c-Si has been related to the dependence between the partial pressure of PH/sub 3/ and the incorporated content of phosphorous in PSG films by means of IR spectroscopy. AFM indicated spongeous structure formation for aged samples, as a result of water absorption which leads to hydrolysis of P=O and O-SiO/sub 3/ bonds. The cluster model approach based on the LCAO Hartree Fock theory was used to calculate the vibration modes for the proposed surrounding of P=O and O-P-O groups by using specific atomic cluster models. This contribution deals with some links between the chemical structures of the nearest environment of phosphorous atoms in PSG films and the features shown by IR spectra.
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