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<p>The development of implementation technologies to achieve the multi-functionalization and high-speed operation of semiconductors has attracted significant attention. Among these, chiplet packaging technology is expected to become the core of future implementation. Within this field, Cu–Cu hybrid bonding is particularly important. In this study, we focused on the direct bonding of Cu–Cu in Cu–Cu hybrid bonding and conducted molecular dynamics simulations using the EAM (embedded atom model). The surface shape of the Cu at the bonding interface was assumed to be a sinusoidal wave in a pseudo-two-dimensional space, and its wavelength and amplitude were varied to find the appropriate condition to obtain a good bonding interface. Topological data analysis was performed to quantitatively analyze the voids present at the bonding interface. Tensile tests were conducted to evaluate the quality of the bonding. Based on these evaluations, we identified the initial surface shapes that resulted in good bonding for {111}–{111}, {110}–{110}, and {<InlineEquation ID="IEq1"> <EquationSource Format="TEX">\(11\overline{2}\)</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <mn>11</mn> <mover> <mn>2</mn> <mo>¯</mo> </mover> </mrow> </math></EquationSource> </InlineEquation>}–{<InlineEquation ID="IEq2"> <EquationSource Format="TEX">\(11\overline{2}\)</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <mn>11</mn> <mover> <mn>2</mn> <mo>¯</mo> </mover> </mrow> </math></EquationSource> </InlineEquation>} interfaces. Specifically, we determined the range of surface roughness (sinusoidal wavelength) and depth (sinusoidal wave amplitude) that yielded good bonding. Notably, the {110}–{110} bond showed better results than the {111}–{111} bond.</p>

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Molecular Dynamics Simulation of Direct Bonding Between Cu–Cu in Hybrid Bonding

  • 期刊论文

  • 发表日期：

    2026年4月27日

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  • Yuta Tomiyoshi,
  • Taro Oyamada,
  • Yasushi Sasajima,
  • Jin Onuki

摘要

The development of implementation technologies to achieve the multi-functionalization and high-speed operation of semiconductors has attracted significant attention. Among these, chiplet packaging technology is expected to become the core of future implementation. Within this field, Cu–Cu hybrid bonding is particularly important. In this study, we focused on the direct bonding of Cu–Cu in Cu–Cu hybrid bonding and conducted molecular dynamics simulations using the EAM (embedded atom model). The surface shape of the Cu at the bonding interface was assumed to be a sinusoidal wave in a pseudo-two-dimensional space, and its wavelength and amplitude were varied to find the appropriate condition to obtain a good bonding interface. Topological data analysis was performed to quantitatively analyze the voids present at the bonding interface. Tensile tests were conducted to evaluate the quality of the bonding. Based on these evaluations, we identified the initial surface shapes that resulted in good bonding for {111}–{111}, {110}–{110}, and { \(11\overline{2}\) 11 2 ¯ }–{ \(11\overline{2}\) 11 2 ¯ } interfaces. Specifically, we determined the range of surface roughness (sinusoidal wavelength) and depth (sinusoidal wave amplitude) that yielded good bonding. Notably, the {110}–{110} bond showed better results than the {111}–{111} bond.