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Surface Chemical Reactions During Atomic Layer Deposition of Zinc Oxynitride (ZnON)

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Abstract

Atomic layer deposition (ALD) is a promising technique for fabricating high-quality thin films. For improving the process conditions and material quality of ALD, understanding the surface chemical mechanisms at the molecular level is important as the entire ALD process is based on the reactions of precursors on the substrate surfaces. Zinc oxynitride (ZnON) is gaining significant research interest as a p-type semiconductor material. Although the ALD of ZnON can be performed by dosing H2O and NH3 as oxygen and nitrogen sources, respectively, the elemental ratio of O and N in the deposited film differs considerably from that in the gaseous sources. In this study, the surface reactions of ZnON ALD are analyzed employing density functional theory calculations. All the ALD surface reactions of ZnO and ZnN are facile and expected to occur rapidly. However, the substitution of a surface *NH2 by H2O to form *OH is preferred, whereas the inverse reaction is implausible. We propose that the differences in the reactivity could originate from the higher bond energy of Zn–O than that of Zn–N.

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Acknowledgements

This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT, RS-2023-00210186). This work was supported by the Technology Innovation Program (Public-private joint investment semiconductor R&D program (K-CHIPS) to foster high-quality human resources) (RS-2023-00236667, High performance Ru-TiN interconnects via high temperature atomic layer deposition (ALD) and development on new interconnect materials based on ALD) funded By the Ministry of Trade, Industry & Energy (MOTIE, Korea) (1415187401). This work was supported by the National Supercomputing Center with supercomputing resources including technical support (KSC-2022-CRE-0280).

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The Funding was provided by National Research Foundation of Korea, (RS-2023-00210186), Bonggeun Shong, Technology Innovation Program, (RS-2023-00236667), Bonggeun Shong

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  1. Department of Chemical Engineering, Hongik University, Seoul, 04066, South Korea

    Tran Thi Ngoc Van & Bonggeun Shong

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  1. Tran Thi Ngoc Van
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Ngoc Van, T.T., Shong, B. Surface Chemical Reactions During Atomic Layer Deposition of Zinc Oxynitride (ZnON). Electron. Mater. Lett. 20, 500–507 (2024). https://doi.org/10.1007/s13391-023-00467-8

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