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<p>Interfacial diffusion is a critical factor influencing the performance and stability of extreme ultraviolet lithography reflective mirrors composed of Mo/Si multilayers. This study explores the diffusion behavior at the Mo/Si interface focusing on the temperature effect using molecular dynamics simulations. Diffusion at the Mo/Si interface is found to be asymmetric, with Mo atoms diffusing more seriously than Si atoms. As diffusion time increases, the diffusion rate gradually decreases, and the diffusion process eventually reaches saturation. Molecular dynamics simulations disclose the underlying mechanism for the slowing of the diffusion rate to be the formation of interfacial compounds <InlineEquation ID="IEq1"> <EquationSource Format="TEX">\(\mathrm {MoSi_2}\)</EquationSource> <EquationSource Format="MATHML"><math> <msub> <mi mathvariant="normal">MoSi</mi> <mn>2</mn> </msub> </math></EquationSource> </InlineEquation> and <InlineEquation ID="IEq2"> <EquationSource Format="TEX">\(\mathrm {Mo_5Si_3}\)</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <msub> <mi mathvariant="normal">Mo</mi> <mn>5</mn> </msub> <msub> <mi mathvariant="normal">Si</mi> <mn>3</mn> </msub> </mrow> </math></EquationSource> </InlineEquation>, which hinder further atom diffusion across the interface. These findings advance the understanding of diffusion mechanisms at the atomic-scale interface, offering insights to optimize the thermal stability of Mo/Si multilayers and indirectly improve their optical properties.</p>

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Microscopic Mechanism for the Interfacial Diffusion in Mo/Si Multilayers from Molecular Dynamics Simulations

  • 期刊论文

  • 发表日期：

    2025年8月28日

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  • Meifeng Qiu,
  • Chuan-Xin Cui,
  • Yu Li,
  • Jin-Wu Jiang

摘要

Interfacial diffusion is a critical factor influencing the performance and stability of extreme ultraviolet lithography reflective mirrors composed of Mo/Si multilayers. This study explores the diffusion behavior at the Mo/Si interface focusing on the temperature effect using molecular dynamics simulations. Diffusion at the Mo/Si interface is found to be asymmetric, with Mo atoms diffusing more seriously than Si atoms. As diffusion time increases, the diffusion rate gradually decreases, and the diffusion process eventually reaches saturation. Molecular dynamics simulations disclose the underlying mechanism for the slowing of the diffusion rate to be the formation of interfacial compounds \(\mathrm {MoSi_2}\) MoSi 2 and \(\mathrm {Mo_5Si_3}\) Mo 5 Si 3 , which hinder further atom diffusion across the interface. These findings advance the understanding of diffusion mechanisms at the atomic-scale interface, offering insights to optimize the thermal stability of Mo/Si multilayers and indirectly improve their optical properties.