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An extended overlay assessment model with process correlation analysis for sub-100-nm accuracy wafer bonding

Rui Wang1, Sen Lu1, 2, Kaiming Yang1, and Yu Zhu1, 2

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 Corresponding author: Kaiming Yang, yangkm@tsinghua.edu.cn

DOI: 10.1088/1674-4926/25120038CSTR: 32376.14.1674-4926.25120038

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Abstract: To address the urgent demand for sub-100-nm overlay accuracy in wafer bonding for three-dimensional integration, this study systematically investigates and proposes an extended overlay assessment model that integrates physical mechanisms with data-driven approaches, along with a methodology for analyzing its correlation with process parameters. Conventional rigid-body transformation models fail to effectively characterize systematic deformations induced by crystalline anisotropy and process stresses. To overcome this limitation, this paper constructs an extended overlay model based on Zernike polynomials. By incorporating systematic deformation terms with clear physical significance, the model achieves precise description of non-uniform wafer deformation. Furthermore, an innovative Zernike term selection strategy is proposed, which combines physics-guided pre-screening with stepwise regression optimized by the Akaike Information Criterion (AIC). This strategy effectively resolves issues of model overfitting and underfitting, significantly enhancing the model's generalizability and interpretability while maintaining accuracy. Experimental validation using Patterned Wafer Geometry (PWG) data demonstrates that the proposed model achieves a goodness-of-fit R2 greater than 0.70 for both the net deformation introduced by the bonding process and the lithography-compensable component, showcasing excellent deformation decomposition capability. Further correlation analysis based on multiple sets of process experimental data quantitatively reveals strong correlations (|r| > 0.85) between key process parameters, such as the peak bonding head force, and specific Zernike deformation modes. This provides direct evidence for actively suppressing detrimental deformations through process optimization. This research establishes a complete technical framework encompassing theory, algorithm, experimental verification, and process traceability, laying a crucial theoretical and technical foundation for mechanism diagnosis, predictive compensation, and closed-loop control in high-precision wafer bonding.

Key words: wafer bondingoverlay assessmentanisotropic deformationZernike polynomialsprocess correlation



[1]
Panigrahi A K, Bonam S, Ghosh T, et al. Low temperature, low pressure CMOS compatible Cu-Cu thermo-compression bonding with Ti passivation for 3D IC integration. 2015 IEEE 65th Electronic Components and Technology Conference (ECTC), 2015: 2205
[2]
Mitsuishi H, Mori H, Maeda H, et al. 50 nm overlay accuracy for wafer-to-wafer bonding by high-precision alignment technologies. 2023 IEEE 73rd Electronic Components and Technology Conference (ECTC), 2023: 1664
[3]
Rebhan B, Bernauer M, Wagenleitner T, et al. 200 nm Wafer-to-wafer overlay accuracy in wafer level Cu/SiO2 hybrid bonding for BSI CIS. 2015 IEEE 17th Electronics Packaging and Technology Conference (EPTC), 2015: 1
[4]
McNally P J. B-Spline X-Ray Diffraction Imaging techniques for die warpage and stress monitoring inside fully encapsulated packaged chips. 2015 16th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems, 2015: 1
[5]
van Dijk L, Mileham J, Malakhovsky I, et al. Wafer-shape based in-plane distortion predictions using Superfast 4G metrology. Metrol Insp Process Control Microlithogr XXXI, 2017, 10145: 101452L doi: 10.1117/12.2257475
[6]
Das H, Sunkari S, Justice J, et al. (invited) detection of dislocations using X-ray diffraction imaging (topography) KOH etching and their evolution after epitaxial growth in 4H-SiC. ECS Trans, 2021, 104(7): 141 doi: 10.1149/ma2021-02341005mtgabs
[7]
Savchuk O, Volinsky A A. Nonparametric estimation of SiC film residual stress from the wafer surface profile. Measurement, 2021, 177: 109238 doi: 10.1016/j.measurement.2021.109238
[8]
Dedkova A A, Florinsky I V, Djuzhev N A. Approaches to determining curvature of wafers by their topography. Успехи Физических Наук, 2022, 192(7): 754 doi: 10.3367/ufnr.2021.10.039076
[9]
Chen X W, Yue W V. Residual stress concentration due to nano-scaled particulate contamination at direct bonding interface with localized material inhomogeneity. J Elast, 2024, 156(4): 1121 doi: 10.1007/s10659-024-10089-2
[10]
Tseng M L, Gorji N E. Metrology of warpage in silicon wafers using X-ray diffraction mapping. IEEE Trans Compon, Packag Manuf Technol, 2025, 15(7): 1523 doi: 10.1109/TCPMT.2025.3557270
[11]
ZHANG Xiao-dong, HAN Zhi-guo, ZHAO Lin, et al. Optimized characterization model of curvature radius-stress for wafer thin films. Acta Opt Sin, 2025, 45(16): 1612001 doi: 10.3788/AOS250950
[12]
Ju J, Kim M, Lee J, et al. Application of overlay modeling and control with Zernike polynomials in an HVM environment. Metrol Insp Process Control Microlithogr XXX, 2016, 9778: 977825 doi: 10.1117/12.2219739
[13]
Zhang L B, Feng Y B, Song Z, et al. Zernike model for overlay control and tool monitor for lithography and etch process. J Vac Sci Technol B, 2022, 40(6): 062604 doi: 10.1116/6.0002239
[14]
Duclaux B, Boustheen A, Pastol A, et al. Overcoming challenges raised by wafer load grid overlay fingerprints and correction per exposure management. Metrology, Inspection, and Process Control XXXIX, 2025: 110
[15]
Ohri A, Taylor T L, Temchenko V, et al. Zernike-based photolithography track modules matching for wafer CDU. Metrology, Inspection, and Process Control XXXIX, 2025: 37
Fig. 1.  (Color online) Comparison of the first 18 Zernike polynomial wafer distribution maps and the characteristic post-bonding residual distribution for a (100) silicon wafer.

Fig. 2.  (Color online) Optimally Selected Zernike Model for bonding residuals under a specific process configuration.

Fig. 3.  (Color online) Example of PWG Data.

Fig. 4.  (Color online) Occurrence frequency of the optimally selected Zernike terms across multiple wafers (N=15).

Fig. 5.  (Color online) Comparison of Fitting Quality for PWG Measurement Data.

Fig. 6.  (Color online) Comparison of Fitting Results and Correlation Analysis for PWG Measurement Data.

Fig. 7.  (Color online) Schematic diagram of the upper chuck's negative pressure zones.

Fig. 8.  (Color online) Heatmap of the correlation between process features and Zernike coefficients.

Table 1.   Comparison of Fitting Results for the Three Zernike Models.

ModelSelected TermskResidual RMS (nm)RMSE_CV (nm)AIC
Traditional Full-TermZ1 ~ Z30300.581.21−707911
Empirical-TermZ5, Z6, Z17, Z1843.323.57−542216
Optimally SelectedZ5, Z7, Z8, Z9, Z10, Z13, Z16, Z1780.880.91−668943
DownLoad: CSV

Table 2.   Comprehensive performance comparison of the three overlay extension models across multiple wafers.

ModelFitted Residual
RMS (nm)
Average Cross-Validation
RMSE (nm)
RMSE_CV Standard
Deviation (nm)
Average
AIC
Single-Pair
Fitting Time (s)
Traditional Full-Term0.621.190.24−71233312.5
Empirical-Term3.183.550.38−5238790.8
Optimally Selected0.830.930.12−6876315.2
DownLoad: CSV

Table 3.   Correlation coefficient matrix between key process features and Zernike coefficients (partial). Each cell shows the Pearson correlation coefficient r with the corresponding p-value in parentheses.

Process FeatureZ8Z9Z10Z11Z15Z16Z18Z19
Peak bonding head force0.401
(0.088)
−0.684
(0.002)
0.640
(0.004)
0.852
(<0.001)
−0.553
(0.017)
0.589
(0.010)
0.620
(0.006)
0.517
(0.025)
Zone_1 pressure hold time−0.401
(0.088)
0.684
(0.002)
−0.640
(0.004)
−0.852
(<0.001)
0.553
(0.017)
−0.589
(0.010)
−0.620
(0.006)
−0.517
(0.025)
Max. change rate of Zone_3 pressure−0.401
(0.088)
0.684
(0.002)
−0.640
(0.004)
−0.852
(<0.001)
0.553
(0.017)
−0.589
(0.010)
−0.620
(0.006)
−0.517
(0.025)
DownLoad: CSV

Table 4.   Correlation coefficients between process features and deformation symmetry groups.

Process FeatureRotational SymmetryFour-fold SymmetryEight-fold Symmetry
Peak Bonding Head Force0.009−0.064−0.268
Zone_1 Pressure Hold Time−0.0090.0640.268
Zone_3 Average Pressure0.009−0.064−0.268
DownLoad: CSV
[1]
Panigrahi A K, Bonam S, Ghosh T, et al. Low temperature, low pressure CMOS compatible Cu-Cu thermo-compression bonding with Ti passivation for 3D IC integration. 2015 IEEE 65th Electronic Components and Technology Conference (ECTC), 2015: 2205
[2]
Mitsuishi H, Mori H, Maeda H, et al. 50 nm overlay accuracy for wafer-to-wafer bonding by high-precision alignment technologies. 2023 IEEE 73rd Electronic Components and Technology Conference (ECTC), 2023: 1664
[3]
Rebhan B, Bernauer M, Wagenleitner T, et al. 200 nm Wafer-to-wafer overlay accuracy in wafer level Cu/SiO2 hybrid bonding for BSI CIS. 2015 IEEE 17th Electronics Packaging and Technology Conference (EPTC), 2015: 1
[4]
McNally P J. B-Spline X-Ray Diffraction Imaging techniques for die warpage and stress monitoring inside fully encapsulated packaged chips. 2015 16th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems, 2015: 1
[5]
van Dijk L, Mileham J, Malakhovsky I, et al. Wafer-shape based in-plane distortion predictions using Superfast 4G metrology. Metrol Insp Process Control Microlithogr XXXI, 2017, 10145: 101452L doi: 10.1117/12.2257475
[6]
Das H, Sunkari S, Justice J, et al. (invited) detection of dislocations using X-ray diffraction imaging (topography) KOH etching and their evolution after epitaxial growth in 4H-SiC. ECS Trans, 2021, 104(7): 141 doi: 10.1149/ma2021-02341005mtgabs
[7]
Savchuk O, Volinsky A A. Nonparametric estimation of SiC film residual stress from the wafer surface profile. Measurement, 2021, 177: 109238 doi: 10.1016/j.measurement.2021.109238
[8]
Dedkova A A, Florinsky I V, Djuzhev N A. Approaches to determining curvature of wafers by their topography. Успехи Физических Наук, 2022, 192(7): 754 doi: 10.3367/ufnr.2021.10.039076
[9]
Chen X W, Yue W V. Residual stress concentration due to nano-scaled particulate contamination at direct bonding interface with localized material inhomogeneity. J Elast, 2024, 156(4): 1121 doi: 10.1007/s10659-024-10089-2
[10]
Tseng M L, Gorji N E. Metrology of warpage in silicon wafers using X-ray diffraction mapping. IEEE Trans Compon, Packag Manuf Technol, 2025, 15(7): 1523 doi: 10.1109/TCPMT.2025.3557270
[11]
ZHANG Xiao-dong, HAN Zhi-guo, ZHAO Lin, et al. Optimized characterization model of curvature radius-stress for wafer thin films. Acta Opt Sin, 2025, 45(16): 1612001 doi: 10.3788/AOS250950
[12]
Ju J, Kim M, Lee J, et al. Application of overlay modeling and control with Zernike polynomials in an HVM environment. Metrol Insp Process Control Microlithogr XXX, 2016, 9778: 977825 doi: 10.1117/12.2219739
[13]
Zhang L B, Feng Y B, Song Z, et al. Zernike model for overlay control and tool monitor for lithography and etch process. J Vac Sci Technol B, 2022, 40(6): 062604 doi: 10.1116/6.0002239
[14]
Duclaux B, Boustheen A, Pastol A, et al. Overcoming challenges raised by wafer load grid overlay fingerprints and correction per exposure management. Metrology, Inspection, and Process Control XXXIX, 2025: 110
[15]
Ohri A, Taylor T L, Temchenko V, et al. Zernike-based photolithography track modules matching for wafer CDU. Metrology, Inspection, and Process Control XXXIX, 2025: 37
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    Received: 20 December 2025 Revised: 21 January 2026 Online: Accepted Manuscript: 02 March 2026

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      Rui Wang, Sen Lu, Kaiming Yang, Yu Zhu. An extended overlay assessment model with process correlation analysis for sub-100-nm accuracy wafer bonding[J]. Journal of Semiconductors, 2026, In Press. doi: 10.1088/1674-4926/25120038 ****R Wang, S Lu, K M Yang, and Y Zhu, An extended overlay assessment model with process correlation analysis for sub-100-nm accuracy wafer bonding[J]. J. Semicond., 2026, accepted doi: 10.1088/1674-4926/25120038
      Citation:
      Rui Wang, Sen Lu, Kaiming Yang, Yu Zhu. An extended overlay assessment model with process correlation analysis for sub-100-nm accuracy wafer bonding[J]. Journal of Semiconductors, 2026, In Press. doi: 10.1088/1674-4926/25120038 ****
      R Wang, S Lu, K M Yang, and Y Zhu, An extended overlay assessment model with process correlation analysis for sub-100-nm accuracy wafer bonding[J]. J. Semicond., 2026, accepted doi: 10.1088/1674-4926/25120038

      An extended overlay assessment model with process correlation analysis for sub-100-nm accuracy wafer bonding

      DOI: 10.1088/1674-4926/25120038
      CSTR: 32376.14.1674-4926.25120038
      More Information
      • Rui Wang is studying for a Ph.D. in Mechanical Engineering in Tsinghua University. He received his BS degree in Mechanical Engineering from Tsinghua University in 2019. His main research direction is Accuracy Guarantee of Alignment and Bonding technology for Wafer Stacking Equipment
      • Sen Lu is an assistant professor at the Department of Mechanical Engineering at Tsinghua University. He received his PhD in mechanical engineering from Tsinghua University in 2019. His current interests include ultra-precision measurement and control technology as well as 3D IC packaging technology
      • Kaiming Yang is a professor at the Department of Mechanical Engineering at Tsinghua University. He received his BS and MS degrees in mechanical engineering from Zhengzhou University in 1995 and 1998, respectively, and his PhD in mechanical manufacturing and automation from Tsinghua University in 2005. His research areas include ultra-precision motion control, computerized numerical control, and mechatronic equipment control
      • Yu Zhu graduated from the China University of Mining and Technology in 2001 with a doctoral degree. From July 2001 to September 2004, he worked as a postdoctoral fellow at Tsinghua University. He is the head of the Institute of Mechanical Electronics at the Department of Mechanical Engineering at Tsinghua University and a leader in the field of IC equipment at Tsinghua University. His research interests include dynamical system design and analysis theory for ultra-precision systems, displacement measurement and motion control technology for nano-precision systems, and development strategies for IC manufacturing equipment
      • Corresponding author: yangkm@tsinghua.edu.cn
      • Received Date: 2025-12-20
      • Revised Date: 2026-01-21
      • Available Online: 2026-03-02

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