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在不同表面结尾的上核化Co和Ru前体:对核化延迟的影响

Ji Liu¹, Rita Mullins¹, Hongliang Lu²

¹Tyndall National Institute, University College Cork, Lee Maltings, Dyke Parade, Cork T12 R5CP, Ireland.

The journal of physical chemistry. C, Nanomaterials and interfaces

|July 26, 2023

概括

在等离子增强原子层沉积 (PE-ALD) 过程中, (Co) 和 (Ru) 前体与表面的反应不同. 表面终结显著影响核化,而Ru前体对薄膜生长的反应性较差.

科学领域:

材料科学材料科学材料科学
表面化学表面化学
计算材料科学科学计算材料科学

背景情况:

早期过渡金属如 (Ru) 和 (Co) 是新一代纳米电子互连中铜 (Cu) 的有希望的替代品.
增强等离子体原子层沉积 (PE-ALD) 对于在高比例纳米结构中沉积金属薄膜至关重要.
了解初始表面反应和核化延迟对于优化PE-ALD过程和最大限度地减少生长不一致性至关重要.

研究的目的:

研究具有不同表面结尾的二烯 (CoCp2) 和二烯 (RuCp2) 前体的原子级反应机制.
阐明影响Co和RuPE-ALD核化延迟和每周期生长 (GPC) 的因素.
评估CoCp2和RuCp2前体对PE-ALD应用的适用性.

主要方法:

第一个原则密度函数理论 (DFT) 模拟被用于模拟前体-基质相互作用.
模拟集中在H终端Si100,NH2终端Si100和H:SiNx/Si100) 表面上.
分析了包括配体交换和转移在内的反应途径,包括CoCp2和RuCp2.

主要成果:

CoCp2前体的反应性高度依赖于基质表面的终结,NH2终结通过H转移促进了连接物交换.
用N2/H2等离子体进行预处理以创建NH2终结表面,可以显著减少Co PE-ALD的核化延迟.
在所有研究的表面上,RuCp2前体表现出高度内热的配体消除反应,表明不适合Ru沉积.

结论:

基质表面终结在控制Co PE-ALD的初始核和生长行为方面发挥着至关重要的作用.
报告的核化延迟和Co PE-ALD的GPC的变异性可以归因于基质表面条件的差异.
由于其与基底的固有低反应性,RuCp2不是Ru PE-ALD的有效前体.

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