High Power Laser Science and Engineering, Volume. 12, Issue 2, 02000e21(2024)

Neural network modeling and prediction of HfO2 thin film properties tuned by thermal annealing

Min Gao1,2, Chaoyi Yin2, Jianda Shao2,3,4, and Meiping Zhu1,2,3,4、*
Author Affiliations
  • 1School of Microelectronics, Shanghai University, Shanghai, China
  • 2Laboratory of Thin Film Optics, Key Laboratory of Materials for High Power Laser, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai, China
  • 3Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing, China
  • 4Hangzhou Institute for Advanced Study, University of Chinese Academy of Sciences, Hangzhou, China
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    Figures & Tables(10)
    THL-BPNN model with all neurons in adjacent layers connected, where x = [x1; x2], y1 and hij represent the input, output and intermediate processing signals, respectively.
    Accuracy of BPNNs with one to four hidden layers based on (a) the refractive index (at 355 nm), (b) layer thickness and (c) O/Hf ratio of PEALD-HfO2. The four columns in each subgraph represent the R2 values of the model in the training and validation sets and the RMSE values in the training and validation sets, respectively. The table indicates the number of neurons in each hidden layer of each model.
    Measured and predicted (a)–(c) refractive index, (d)–(f) layer thickness and (g)–(i) O/Hf ratio of HfO2 thin films. The data in the left-hand, middle and right-hand columns are predicted by the LR model, SVR model and THL-BPNN model, respectively. The blue line (with a slope of 1) serves as a guideline for perfect prediction.
    Correlations between properties of HfO2 thin films used in this section. Blue indicates a negative correlation, whereas red indicates a positive correlation. Darker colors and larger circles indicate higher correlations. The numbers inside the circles indicate the corresponding correlation coefficients of the two features.
    Comparison of measured and predicted LIDT values on the (a) training set and (b) validation set.
    Comparison of measured and predicted values of (a) the refractive index (at 355 nm), (b) the layer thickness and (c) the O/Si ratio for SiO2 thin films in the validation set.
    • Table 1. Datasets for property prediction of HfO2 and SiO2 thin films.

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      Table 1. Datasets for property prediction of HfO2 and SiO2 thin films.

      HfO2 thin filmsSiO2 thin films
      VariablesRangeVariablesRange
      InputAnnealing atmosphere*0–3Deposition temperature (°C)50–200
      Annealing temperature (°C)0–800Precursor exposure time (s)0.1–0.7
      OutputRefractive index(at 355 nm)1.83–2.24Refractive index(at 355 nm)1.48–1.49
      Thickness (nm)34.7–50.3Thickness (nm)69.0–88.1
      O/Hf ratio1.80–2.04O/Si ratio1.94–2.01
    • Table 2. Datasets for LIDT prediction of HfO2 and SiO2 thin films.

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      Table 2. Datasets for LIDT prediction of HfO2 and SiO2 thin films.

      Range
      VariablesHfO2SiO2
      thin filmsthin films
      InputType*12
      Total impurity content5.4–13.50.6–1.1
      (%, atomic fraction)
      Absorption (ppm)211–108923.8–5.8
      Stoichiometric ratio1.81–2.061.94–2.01
      OutputLIDT (J/cm2)1.2–6.322.0–39.4
    • Table 3. Evaluation of the LR, SVR and THL-BPNN models.

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      Table 3. Evaluation of the LR, SVR and THL-BPNN models.

      Refractive indexLayer thicknessO/Hf ratio
      Training dataValidation dataTraining dataValidation dataTraining dataValidation data
      R2RMSER2RMSER2RMSER2RMSER2RMSER2RMSE
      LR0.720.060.660.080.742.240.482.880.430.080.480.08
      SVR0.710.060.520.100.752.220.562.640.840.040.740.05
      THL-BPNN0.990.010.990.010.941.080.911.180.940.030.900.03
    • Table 4. Evaluation of the THL-BPNN model for SiO2 thin film properties.

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      Table 4. Evaluation of the THL-BPNN model for SiO2 thin film properties.

      Training dataValidation data
      R2RMSEAARMSE
      Refractive index0.990.001.000.00
      Layer thickness0.990.430.981.72
      O/Si ratio0.810.010.990.03
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    Min Gao, Chaoyi Yin, Jianda Shao, Meiping Zhu. Neural network modeling and prediction of HfO2 thin film properties tuned by thermal annealing[J]. High Power Laser Science and Engineering, 2024, 12(2): 02000e21

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    Paper Information

    Category: Research Articles

    Received: Aug. 10, 2023

    Accepted: Feb. 6, 2024

    Published Online: May. 7, 2024

    The Author Email: Meiping Zhu (bree@siom.ac.cn)

    DOI:10.1017/hpl.2024.6

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