• High Power Laser Science and Engineering
  • Vol. 12, Issue 2, 02000e21 (2024)
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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    DOI: 10.1017/hpl.2024.6 Cite this Article Set citation alerts
    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 Copy Citation Text show less
    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.
    Fig. 1. 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.
    Fig. 2. 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.
    Fig. 3. 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.
    Fig. 4. 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.
    Fig. 5. 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.
    Fig. 6. 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.
    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 1. Datasets for property 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 2. Datasets for LIDT prediction of HfO2 and SiO2 thin films.
    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 3. Evaluation of the LR, SVR and THL-BPNN models.
    Training dataValidation data
    R2RMSEAARMSE
    Refractive index0.990.001.000.00
    Layer thickness0.990.430.981.72
    O/Si ratio0.810.010.990.03
    Table 4. Evaluation of the THL-BPNN model for SiO2 thin film properties.
    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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