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Plasma etching | sci_imageminer__atomic_layer_etching__simulation_usecase__33__fa8b87c2b1d5f083ea93e86b3b26d0d416aaf00adc82d1f1c672e411405f4af6 | atomic-layer-etching/simulation-usecase/33/fa8b87c2b1d5f083ea93e86b3b26d0d416aaf00adc82d1f1c672e411405f4af6 | train | materials_science | atomic_layer_etching | null | simulation | [
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Figure 1. Schematic of the data set construction for NNP training. Initial baseline structures cover diverse equilibrium configurations. Reaction-specific sets are captured via guided MD, while general-purpose sets are derived from high-temperature MD simulations. Iterative refinements of the NNP are conducted using tr... | sci_imageminer__atomic_layer_etching__simulation_usecase__33__figure_1 | atomic-layer-etching/simulation-usecase/33/figure_1 | train | materials_science | atomic_layer_etching | null | simulation | [
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Figure 10. Number distribution of etching products with regard to $\theta_{\mathrm{in}}$ . The error bars indicate the standard deviations among three independent runs. | sci_imageminer__atomic_layer_etching__simulation_usecase__33__figure_10 | atomic-layer-etching/simulation-usecase/33/figure_10 | train | materials_science | atomic_layer_etching | null | simulation | [
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Figure 11. Schematic of atomistic mechanism in $\mathrm{Si}_3\mathrm{N}_4$ etching (a) at low angle of incidence, and (b) high angle of incidence. | sci_imageminer__atomic_layer_etching__simulation_usecase__33__figure_11 | atomic-layer-etching/simulation-usecase/33/figure_11 | train | materials_science | atomic_layer_etching | null | simulation | [
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Figure 12. Evolution of populations of surface species $(N_{i})$ in the modified layer as a function of HF dose. The solid lines are the results of 1D continuum model while symbols are directly obtained from MD simulations with $E_{\mathrm{in}}$ of $50~\mathrm{eV}$ and $\theta_{\mathrm{in}}$ of $0^{\circ}$ . P... | sci_imageminer__atomic_layer_etching__simulation_usecase__33__figure_12 | atomic-layer-etching/simulation-usecase/33/figure_12 | train | materials_science | atomic_layer_etching | null | simulation | [
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"data": "| Dose (HF/nm²) | N (nm⁻²) | NH₀ (nm⁻²) | NH₁ (nm⁻²) | NH₂ (nm⁻²) |\n|---------------|-----------|-------------|-------------|-------------|\n| 0 | 35 | 10 | 0 | 0 |\n| 50 | 30 | 8 | 5 | 2 ... | [
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Figure 3. (a) Comparison of the DFT and NNP energies along the NNP MD trajectory for the crystalline slab after the primitive training and (b) the etched surface after the NNP MD simulation. (b) | sci_imageminer__atomic_layer_etching__simulation_usecase__33__figure_3 | atomic-layer-etching/simulation-usecase/33/figure_3 | train | materials_science | atomic_layer_etching | null | simulation | [
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Figure 4. Comparison of reaction energies during etching MD calculated using DFT $(E_{\mathrm{rxn}}^{\mathrm{DFT}})$ and NNP $(E_{\mathrm{rxn}}^{\mathrm{NNP}})$ . Each point refers to individual reactions. The density of data points on the color bar indicates the local density of reaction events in the vicinity of e... | sci_imageminer__atomic_layer_etching__simulation_usecase__33__figure_4 | atomic-layer-etching/simulation-usecase/33/figure_4 | train | materials_science | atomic_layer_etching | null | simulation | [
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(a) Figure 6. (a) The number of Si, N, H, and F atoms in the simulation cell during the etching process at $E_{\mathrm{in}} = 50 \mathrm{eV}$ and $\theta_{\mathrm{in}} = 0^{\circ}$ . (b) Etching yield as a function of incident energy. The black dashed line represents the fitted function of the universal etching beha... | sci_imageminer__atomic_layer_etching__simulation_usecase__33__figure_6 | atomic-layer-etching/simulation-usecase/33/figure_6 | train | materials_science | atomic_layer_etching | null | simulation | [
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"data": "| Dose (HF/nm²) | Si | N | H | F |\n|---------------|----|----|----|----|\n| 0 | 400 | 500 | 100 | 0 |\n| 50 | 370 | 460 | 110 | 120 |\n| 100 | 340 | 420 | 110 | 140 |\n| 150 | 310 | 390 | 110 | 150 |\n| 200 | 280 | 360 | 110... | [
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Figure 7. Number distribution of etching products with regard to $E_{\mathrm{in}}$ . The error bars indicate the standard deviations among three independent runs. | sci_imageminer__atomic_layer_etching__simulation_usecase__33__figure_7 | atomic-layer-etching/simulation-usecase/33/figure_7 | train | materials_science | atomic_layer_etching | null | simulation | [
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Figure 8. (a–f) The etched surfaces of $\mathrm{a - Si_3N_4}$ with regard to the angle of incidence $(\theta_{\mathrm{in}})$ of HF: $\theta_{\mathrm{in}} = 0, 15, 30, 45, 60$ and $75^{\circ}$ , respectively. The kinetic energy of the HF molecule is $50~\mathrm{eV}$ . The initial height of the surface before etc... | sci_imageminer__atomic_layer_etching__simulation_usecase__33__figure_8 | atomic-layer-etching/simulation-usecase/33/figure_8 | train | materials_science | atomic_layer_etching | null | simulation | [
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Figure 9. (a) The reflection coefficient, and (b) the total etching yield per incident HF molecule, both as a function of the incident angle. The error bars indicate the standard deviations among three independent runs. | sci_imageminer__atomic_layer_etching__simulation_usecase__33__figure_9 | atomic-layer-etching/simulation-usecase/33/figure_9 | train | materials_science | atomic_layer_etching | null | simulation | [
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Figure 1. Schematic representation of the use of organic masks in ideal ALE (a) and ALD (b) cycles. | sci_imageminer__atomic_layer_etching__simulation_usecase__35__fig1 | atomic-layer-etching/simulation-usecase/35/FIG1 | train | materials_science | atomic_layer_etching | null | simulation | [
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... | train/atomic-layer-etching/simulation-usecase/35/images/FIG1.jpg | train/atomic-layer-etching/simulation-usecase/35/images/FIG1.json | train/atomic-layer-etching/simulation-usecase/35/content.json | Density Functional Theory Study of Oxygen Adsorption on Polymer Surfaces for Atomic-Layer Etching: Implications for Semiconductor Device Fabrication | Roberto C. Longo, Alok Ranjan, and Peter L. G. Ventzek* | null | null | 2,020 | Density Functional Theory Study of Oxygen Adsorption on Polymer Surfaces for Atomic-Layer.pdf | FIG1 | 1,039 | 300 | JPEG | 7ce2bfd8f41536be52ecc7f2fddd0de535989c922b60bc245be41d69f71db40c | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
(a) | sci_imageminer__atomic_layer_etching__simulation_usecase__35__fig1_a | atomic-layer-etching/simulation-usecase/35/FIG1_a | train | materials_science | atomic_layer_etching | null | simulation | [
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"source_image_path": "train/atomic-layer-etching/simulation-usecase/35/images/FIG1_a.jpg",... | train/atomic-layer-etching/simulation-usecase/35/images/FIG1_a.jpg | train/atomic-layer-etching/simulation-usecase/35/images/FIG1_a.json | train/atomic-layer-etching/simulation-usecase/35/content.json | Density Functional Theory Study of Oxygen Adsorption on Polymer Surfaces for Atomic-Layer Etching: Implications for Semiconductor Device Fabrication | Roberto C. Longo, Alok Ranjan, and Peter L. G. Ventzek* | null | null | 2,020 | Density Functional Theory Study of Oxygen Adsorption on Polymer Surfaces for Atomic-Layer.pdf | FIG1_a | 677 | 342 | JPEG | 4fc6fba8e189737aa664c37222304efc0c497d7af0173560bc4ce61905de949d | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
null | sci_imageminer__atomic_layer_etching__simulation_usecase__35__fig1_b | atomic-layer-etching/simulation-usecase/35/FIG1_b | train | materials_science | atomic_layer_etching | null | simulation | [
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Figure 2. Lateral and front views of the PS surface model used in the calculations. Brown spheres represent carbon atoms, and white spheres represent hydrogen atoms. | sci_imageminer__atomic_layer_etching__simulation_usecase__35__fig2 | atomic-layer-etching/simulation-usecase/35/FIG2 | train | materials_science | atomic_layer_etching | null | simulation | [
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null | sci_imageminer__atomic_layer_etching__simulation_usecase__35__fig3 | atomic-layer-etching/simulation-usecase/35/FIG3 | train | materials_science | atomic_layer_etching | null | simulation | [
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... | train/atomic-layer-etching/simulation-usecase/35/images/FIG3.jpg | train/atomic-layer-etching/simulation-usecase/35/images/FIG3.json | train/atomic-layer-etching/simulation-usecase/35/content.json | Density Functional Theory Study of Oxygen Adsorption on Polymer Surfaces for Atomic-Layer Etching: Implications for Semiconductor Device Fabrication | Roberto C. Longo, Alok Ranjan, and Peter L. G. Ventzek* | null | null | 2,020 | Density Functional Theory Study of Oxygen Adsorption on Polymer Surfaces for Atomic-Layer.pdf | FIG3 | 946 | 810 | JPEG | 7df8c3095df679c707e5e91813d665c22706f8aa649f65d3ae674e50df137165 | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
Figure 4. Scatter plot showing the adsorption energy versus oxygen coverage of the minima shown in Figure 3. All of the points were fit to a parabola for eye-guiding purposes. The highlighted points are cross-referenced to the configurations shown in Figure 3. Brown, white, and red spheres represent carbon, hydrogen, a... | sci_imageminer__atomic_layer_etching__simulation_usecase__35__fig4 | atomic-layer-etching/simulation-usecase/35/FIG4 | train | materials_science | atomic_layer_etching | null | simulation | [
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"data": "| Coverage [O/nm²] | Adsorption Energy [eV/nm²] | Annotated chemical event |\n|------------------|----------------------------|--------------------------|\n| 0.5 | −2.02 (global minimum) | Initial adsorption |\n| 3.0 | −1.00 (local minimum) | H₂... | [
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... | train/atomic-layer-etching/simulation-usecase/35/images/FIG4.jpg | train/atomic-layer-etching/simulation-usecase/35/images/FIG4.json | train/atomic-layer-etching/simulation-usecase/35/content.json | Density Functional Theory Study of Oxygen Adsorption on Polymer Surfaces for Atomic-Layer Etching: Implications for Semiconductor Device Fabrication | Roberto C. Longo, Alok Ranjan, and Peter L. G. Ventzek* | null | null | 2,020 | Density Functional Theory Study of Oxygen Adsorption on Polymer Surfaces for Atomic-Layer.pdf | FIG4 | 672 | 406 | JPEG | f20d59391b19adae8f9ce813ef08ac731dfbccaee2e7fb2da02fef6d9a360754 | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
Figure 5. (a-d) Snapshots representing the $\mathrm{H}_2\mathrm{O}$ formation mechanism obtained in optimization of the $\mathrm{O}_5$ configuration, as shown in Figure 3 (the color code is the same). The left panel shows a complementary graph with relative energy along the formation pathway with respect to the ini... | sci_imageminer__atomic_layer_etching__simulation_usecase__35__fig5 | atomic-layer-etching/simulation-usecase/35/FIG5 | train | materials_science | atomic_layer_etching | null | simulation | [
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... | train/atomic-layer-etching/simulation-usecase/35/images/FIG5.jpg | train/atomic-layer-etching/simulation-usecase/35/images/FIG5.json | train/atomic-layer-etching/simulation-usecase/35/content.json | Density Functional Theory Study of Oxygen Adsorption on Polymer Surfaces for Atomic-Layer Etching: Implications for Semiconductor Device Fabrication | Roberto C. Longo, Alok Ranjan, and Peter L. G. Ventzek* | null | null | 2,020 | Density Functional Theory Study of Oxygen Adsorption on Polymer Surfaces for Atomic-Layer.pdf | FIG5 | 998 | 828 | JPEG | de5811f88545d56a9c69af1f64770cbae23484b972b1b4d2282531eed633a3b5 | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
0 Figure 6. Optimized geometries of one and two oxygen atoms adsorbed on partially dehydrogenated PS surfaces, expressed as a function of the hydrogen removal coverage $\theta$ . Brown, white, and red spheres represent carbon, hydrogen, and oxygen atoms, respectively. | sci_imageminer__atomic_layer_etching__simulation_usecase__35__fig6 | atomic-layer-etching/simulation-usecase/35/FIG6 | train | materials_science | atomic_layer_etching | null | simulation | [
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"summary": "At low hydrogen coverage (θ(H) = 0.12), the optimized molecular structures remain relatively extended. The backbone shows limited bending, and the difference between the O and 2O configurations is modest, indicating minimal structural perturbation at this coverage."
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... | train/atomic-layer-etching/simulation-usecase/35/images/FIG6.jpg | train/atomic-layer-etching/simulation-usecase/35/images/FIG6.json | train/atomic-layer-etching/simulation-usecase/35/content.json | Density Functional Theory Study of Oxygen Adsorption on Polymer Surfaces for Atomic-Layer Etching: Implications for Semiconductor Device Fabrication | Roberto C. Longo, Alok Ranjan, and Peter L. G. Ventzek* | null | null | 2,020 | Density Functional Theory Study of Oxygen Adsorption on Polymer Surfaces for Atomic-Layer.pdf | FIG6 | 1,216 | 747 | JPEG | dd36dd933e305b8cab1dc19f45980288a6b90949d24f804b042af2fa42e7eddc | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
Figure 7. (a-d) Snapshots representing the final configurations of oxygen adsorption on partially dehydrogenated PS, for a hydrogen removal coverage of $\theta = 0.48$ . The oxygen flux density and corresponding initial forces are listed below each picture. The graph shows the depth reached by the incoming oxygen atom... | sci_imageminer__atomic_layer_etching__simulation_usecase__35__fig7 | atomic-layer-etching/simulation-usecase/35/FIG7 | train | materials_science | atomic_layer_etching | null | simulation | [
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... | train/atomic-layer-etching/simulation-usecase/35/images/FIG7.jpg | train/atomic-layer-etching/simulation-usecase/35/images/FIG7.json | train/atomic-layer-etching/simulation-usecase/35/content.json | Density Functional Theory Study of Oxygen Adsorption on Polymer Surfaces for Atomic-Layer Etching: Implications for Semiconductor Device Fabrication | Roberto C. Longo, Alok Ranjan, and Peter L. G. Ventzek* | null | null | 2,020 | Density Functional Theory Study of Oxygen Adsorption on Polymer Surfaces for Atomic-Layer.pdf | FIG7 | 1,590 | 800 | JPEG | 6d4e76f2f501e351189aeb5b1f124172a0b86da6371dff609a6b55982b5ca2f6 | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
Figure 1. Etch per cycle for TiN films versus $\mathrm{NbF}_5$ pulse time at $460^{\circ}C$ The duration of $\mathbb{N}_2$ purges and $\mathrm{CCl}_4$ pulses were fixed at 6 and 1 s, respectively. | sci_imageminer__atomic_layer_etching__simulation_usecase__4__figure_1 | atomic-layer-etching/simulation-usecase/4/figure_1 | train | materials_science | atomic_layer_etching | null | simulation | [
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"summary": "The figure illustrates how the etch per cycle of TiN films varies with NbF₅ pulse time during the NbF₅–CCl₄ etch process at 460 °C. The etch per cycle increases from about 0.3 Å without NbF₅ to approximately 0.8 Å at a 3 s NbF₅ pulse, showing a gradual increase without clear s... | [
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"data": "| NbF₅ pulse time [s] | Etch per cycle [Å] |\n|---|---|\n| 0.0 | 0.3 |\n| 1.0 | 0.6 |\n| 3.0 | 0.8 |"
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"answer": "Yes"
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"publication_title": "Combining Experimental and DFT Investigation of the Mechanism Involved in Thermal Etching of Titanium Nitride Using Alternate Exposures of $\\mathrm{NbF}_5$ and $\\mathrm{CCl}_4$ , or $\\mathrm{CCl}_4$ Only",
"authors": "Varun Sharma,\\* Suresh Kondati Natarajan, Simon D. Elliott, Tom B... | {
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"source_image_path": "train/atomic-layer-etching/simulation-usecase/4/images/figure_1.jpg"... | train/atomic-layer-etching/simulation-usecase/4/images/figure_1.jpg | train/atomic-layer-etching/simulation-usecase/4/images/figure_1.json | train/atomic-layer-etching/simulation-usecase/4/content.json | Combining Experimental and DFT Investigation of the Mechanism Involved in Thermal Etching of Titanium Nitride Using Alternate Exposures of $\mathrm{NbF}_5$ and $\mathrm{CCl}_4$ , or $\mathrm{CCl}_4$ Only | Varun Sharma,\* Suresh Kondati Natarajan, Simon D. Elliott, Tom Blomberg, Suvi Haukka, Michael E. Givens, Marko Tuominen, and Mikko Ritala\* | null | null | null | Combining Experimental and DFT Investigation.pdf | figure_1 | 633 | 575 | JPEG | 9ddaf759394920b5a45161c754403177fba77daf46ec5daa2f58239c413b30e7 | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
Figure 2. Etch per cycle of TiN films with varying $\mathbb{C}\mathbb{C}\mathbb{I}_4$ pulse time at $460^{\circ}C$ 6 s long $\mathbb{N}_2$ purges were used. The figure compares the EPC for the binary process (red) to the CVE process (blue). | sci_imageminer__atomic_layer_etching__simulation_usecase__4__figure_2 | atomic-layer-etching/simulation-usecase/4/figure_2 | train | materials_science | atomic_layer_etching | null | simulation | [
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"panel_id": "a",
"summary": "Figure 2 illustrates the etch per cycle (EPC) of TiN films as a function of CCl₄ pulse time at 460 °C, comparing two etching processes: the NbF₅–CCl₄ binary process and the CCl₄-only CVE process. The EPC increases with CCl₄ pulse time for both processes, with the binary proces... | [
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"data": "| CCl₄ pulse time [s] | Etch per cycle NbF₅–CCl₄ [Å] | Etch per cycle CCl₄-only CVE [Å] |\n|---|---|---|\n| 0.0 | 0.0 | 0.0 |\n| 0.5 | 0.3 | 0.3 |\n| 1.0 | 0.4 | 0.4 |\n| 3.0 | 0.8 | 0.5 |"
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"authors": "Varun Sharma,\\* Suresh Kondati Natarajan, Simon D. Elliott, Tom B... | {
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"source_image_path": "train/atomic-layer-etching/simulation-usecase/4/images/figure_2.jpg"... | train/atomic-layer-etching/simulation-usecase/4/images/figure_2.jpg | train/atomic-layer-etching/simulation-usecase/4/images/figure_2.json | train/atomic-layer-etching/simulation-usecase/4/content.json | Combining Experimental and DFT Investigation of the Mechanism Involved in Thermal Etching of Titanium Nitride Using Alternate Exposures of $\mathrm{NbF}_5$ and $\mathrm{CCl}_4$ , or $\mathrm{CCl}_4$ Only | Varun Sharma,\* Suresh Kondati Natarajan, Simon D. Elliott, Tom Blomberg, Suvi Haukka, Michael E. Givens, Marko Tuominen, and Mikko Ritala\* | null | null | null | Combining Experimental and DFT Investigation.pdf | figure_2 | 633 | 598 | JPEG | c2a162c89584ecf10b088bb8ad3343b7d5a39c552229ba0526dc010bddeda724 | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
Figure 3. Effect of etch temperature on etch per cycle for the binary process (blue curve) as well as $\mathrm{CCl_4}$ alone (blue curve) process. Both the precursor pulses and the purge times were fixed to 1 and 6 s, respectively. | sci_imageminer__atomic_layer_etching__simulation_usecase__4__figure_3 | atomic-layer-etching/simulation-usecase/4/figure_3 | train | materials_science | atomic_layer_etching | null | simulation | [
{
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"panel_id": "a",
"summary": "Figure 3 shows the effect of etch temperature on the etch per cycle of TiN films for the NbF₅–CCl₄ binary process and the CCl₄-only process. The etch per cycle increases with temperature for both processes, with the binary process consistently exhibiting higher etch rates. No ... | [
{
"panel_id": "a",
"data": "| Etch temperature [°C] | Etch per cycle NbF₅–CCl₄ [Å] | Etch per cycle CCl₄-only [Å] |\n|---|---|---|\n| 370 | 0.03 | 0.07 |\n| 380 | 0.10 | 0.12 |\n| 390 | 0.20 | 0.18 |\n| 400 | 0.40 | 0.22 |\n| 460 | 0.55 | 0.30 |"
}
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"answer": "No"
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{
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"publication_title": "Combining Experimental and DFT Investigation of the Mechanism Involved in Thermal Etching of Titanium Nitride Using Alternate Exposures of $\\mathrm{NbF}_5$ and $\\mathrm{CCl}_4$ , or $\\mathrm{CCl}_4$ Only",
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"source_image_path": "train/atomic-layer-etching/simulation-usecase/4/images/figure_3.jpg"... | train/atomic-layer-etching/simulation-usecase/4/images/figure_3.jpg | train/atomic-layer-etching/simulation-usecase/4/images/figure_3.json | train/atomic-layer-etching/simulation-usecase/4/content.json | Combining Experimental and DFT Investigation of the Mechanism Involved in Thermal Etching of Titanium Nitride Using Alternate Exposures of $\mathrm{NbF}_5$ and $\mathrm{CCl}_4$ , or $\mathrm{CCl}_4$ Only | Varun Sharma,\* Suresh Kondati Natarajan, Simon D. Elliott, Tom Blomberg, Suvi Haukka, Michael E. Givens, Marko Tuominen, and Mikko Ritala\* | null | null | null | Combining Experimental and DFT Investigation.pdf | figure_3 | 642 | 595 | JPEG | c59b09f92224112076fab01d65532c1691bf4a04c3d7e988beec6c61ba4d045c | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
Figure 4. A change in the thickness values with total number of etch cycles at $460^{\circ}\mathrm{C}$ for TiN, $\mathrm{SiO_2}$ , $\mathrm{Al}_2\mathrm{O}_3$ , and $\mathrm{Si}_3\mathrm{N}_4$ films. A TiN is selectively etched away by $\mathrm{CCl_4}$ alone over other materials. | sci_imageminer__atomic_layer_etching__simulation_usecase__4__figure_4 | atomic-layer-etching/simulation-usecase/4/figure_4 | train | materials_science | atomic_layer_etching | null | simulation | [
{
"panel_id": "a",
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{
"panel_id": "a",
"summary": "Figure 4 shows the change in film thickness with the total number of etch cycles at 460 °C for TiN, SiO₂, Al₂O₃, and Si₃N₄ films. The TiN film is selectively etched by the CCl₄-only CVE process, with thickness decreasing linearly at approximately 0.3 Å per cycle, reaching abou... | [
{
"panel_id": "a",
"data": "| Etch cycles | TiN (ALD) | Al₂O₃ (ALD) | SiO₂ (TOx) | Si₃N₄ (LPCVD) |\n|---|---|---|---|---|\n| 0 | 0 | 0 | 0 | 0 |\n| 100 | 3 | 0 | 0 | 0 |\n| 300 | 9 | 0 | 0 | 0 |\n| 500 | 13 | 0 | 0 | 0 |\n| 1000 | 30 | 0 | 0 | 0 |"
}
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"answer": "no"
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"authors": "Varun Sharma,\\* Suresh Kondati Natarajan, Simon D. Elliott, Tom B... | {
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Figure 5. An X-ray photoelectron spectroscopy of $\mathrm{SiO_2}$ surface after complete removal of TiN film by $\mathrm{CCl_4}$ based CVE process at $460^{\circ}\mathrm{C}$ . | sci_imageminer__atomic_layer_etching__simulation_usecase__4__figure_5 | atomic-layer-etching/simulation-usecase/4/figure_5 | train | materials_science | atomic_layer_etching | null | simulation | [
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"summary": "Figure 5 shows an X-ray photoelectron spectroscopy (XPS) survey scan of the SiO₂ surface after complete removal of the TiN film by the CCl₄-based CVE process at 460 °C. The surface is primarily composed of silicon and oxygen, with small amounts of carbon (~5.1 at%) and nitroge... | [
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"data": "| Binding energy [eV] | Element | Relative intensity [a.u.] |\n|---|---|---|\n| 284.8 | C 1s | Detected |\n| 399.1 | N 1s | Detected |\n| 532.0 | O 1s | Detected |\n| 103.3 | Si 2p | Detected |"
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"publication_title": "Combining Experimental and DFT Investigation of the Mechanism Involved in Thermal Etching of Titanium Nitride Using Alternate Exposures of $\\mathrm{NbF}_5$ and $\\mathrm{CCl}_4$ , or $\\mathrm{CCl}_4$ Only",
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"source_image_path": "train/atomic-layer-etching/simulation-usecase/4/images/figure_5.jpg"... | train/atomic-layer-etching/simulation-usecase/4/images/figure_5.jpg | train/atomic-layer-etching/simulation-usecase/4/images/figure_5.json | train/atomic-layer-etching/simulation-usecase/4/content.json | Combining Experimental and DFT Investigation of the Mechanism Involved in Thermal Etching of Titanium Nitride Using Alternate Exposures of $\mathrm{NbF}_5$ and $\mathrm{CCl}_4$ , or $\mathrm{CCl}_4$ Only | Varun Sharma,\* Suresh Kondati Natarajan, Simon D. Elliott, Tom Blomberg, Suvi Haukka, Michael E. Givens, Marko Tuominen, and Mikko Ritala\* | null | null | null | Combining Experimental and DFT Investigation.pdf | figure_5 | 600 | 545 | JPEG | 516d7f3a15677cc835b6014c1e9a3d6d5d220cbe7deff97fe61f0ab9162a5be8 | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
Figure 6. BF-TEM images of a) the reference unetched $25 \text{nm}$ TiN film on $22 \text{nm} \text{SiO}_2$ film, b) after complete etching of $25 \text{nm}$ TiN film by 600 cycles of each $3 \text{s}$ long $\text{CCl}_4$ pulse separated by $6 \text{s}$ of $\text{N}_2$ purges. | sci_imageminer__atomic_layer_etching__simulation_usecase__4__figure_6 | atomic-layer-etching/simulation-usecase/4/figure_6 | train | materials_science | atomic_layer_etching | null | simulation | [
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Figure 7. An XPS depth profiling through remaining TiN film after partial etching at $460^{\circ} \text{C}$ . Total 300 cycles were performed with $0.5 \text{s}$ of both $\text{NbF}_5$ and $\text{CCl}_4$ pulse lengths with $6 \text{s}$ of $\text{N}_2$ purges. | sci_imageminer__atomic_layer_etching__simulation_usecase__4__figure_7 | atomic-layer-etching/simulation-usecase/4/figure_7 | train | materials_science | atomic_layer_etching | null | simulation | [
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"summary": "Figure 7 presents an XPS depth profile of a partially etched TiN film after 300 cycles of the NbF₅–CCl₄ etch process at 460 °C, with 0.5 s pulses and 6 s N₂ purges. The surface initially contains high carbon (~26%) and oxygen (~31%), along with nitrogen (~20%), titanium (~15%)... | [
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"data": "| Sputter time [s] | C1s (%) | N1s (%) | O1s (%) | F1s (%) | Si2p (%) | Ti2p (%) | Nb3d (%) |\n|---|---|---|---|---|---|---|---|\n| 0 | 26 | 20 | 31 | 1.5 | 1.5 | 15 | 5 |\n| 15 | 4 | 32 | 28 | 1.0 | 1.5 | 24 | 5.5 |\n| 60 | 3 | 32 | 28 | 0.9 | 1.5 | 24 | 6 |"
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Figure 8. Cross-sectional bright field transmission electron micrograph (BF-TEM) of 3D structures: a) about $3.3 \text{nm}$ TiN film deposited on $\text{SiO}_2$ fins with lateral cavities, b) the same after about $0.8 \text{nm}$ TiN is etched by the $\text{NbF}_5\text{-}\text{CCl}_4$ etch-process, and c) after ... | sci_imageminer__atomic_layer_etching__simulation_usecase__4__figure_8 | atomic-layer-etching/simulation-usecase/4/figure_8 | train | materials_science | atomic_layer_etching | null | simulation | [
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Fig. 1 DFT and Tersoff calculated energy change during $\mathrm{Cl}_g$ adsorption and desorption from $\mathrm{Ge_9Cl_{12}}$ cluster. Light green: Cl. Cyan: Ge. H(0,2) and H(0,3) marks the number of neighbour atoms $k$ of Cl and Ge type for the surface Ge atom, not including its neighbour atom $j$ . For example,... | sci_imageminer__atomic_layer_etching__simulation_usecase__5__fig_1 | atomic-layer-etching/simulation-usecase/5/fig_1 | train | materials_science | atomic_layer_etching | null | simulation | [
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Fig. 2 (a) Side view of Ge surface after chlorination with different energies. The layer thickness showing here is around $16\mathrm{\AA}$ . Non-adsorbed Cl/Cl $_2$ away from surface have been deleted. (b) System energy (including both kinetic and potential energy) after equilibration (error bar smaller than the symb... | sci_imageminer__atomic_layer_etching__simulation_usecase__5__fig_2 | atomic-layer-etching/simulation-usecase/5/fig_2 | train | materials_science | atomic_layer_etching | null | simulation | [
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Fig. 3 Snapshots of Ge surface after $100\mathrm{eV}$ Ar bombardment (200 times). Light green: Cl. Cyan: Ge. | sci_imageminer__atomic_layer_etching__simulation_usecase__5__fig_3 | atomic-layer-etching/simulation-usecase/5/fig_3 | train | materials_science | atomic_layer_etching | null | simulation | [
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Fig. 5 (a) Density profile of Ge and Cl element change before and after 200 times Ar bombardment with different bombardment energy on $25\mathrm{eV}$ chlorinated surface. (b) Total etched number change (blue: Ge, red: Cl) with Ar bombardment energy for each chlorination condition, averaged from three samples with err... | sci_imageminer__atomic_layer_etching__simulation_usecase__5__fig_5 | atomic-layer-etching/simulation-usecase/5/fig_5 | train | materials_science | atomic_layer_etching | null | simulation | [
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"data": "| z distance (Å) | Density Ge_initial | Density Cl_initial | Density Ge_final | Density Cl_final |\n|---|---|---|---|---|\n| 0 | 0 | 0 | 0 | 0 |\n| 50 | 75 | 75 | 65 | 50 |"
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FIG.2. $\mathbb{C}\mathbb{I}_2$ mass flow, pressure, and DC bias during one 7 s ALE cycle. The applied DC bias is $-65\mathrm{V}$ for this case. The Ar flow (80 SCCM) is on continuously throughout the cycle. ICP power is 250 W. | sci_imageminer__atomic_layer_etching__simulation_usecase__6__fig2 | atomic-layer-etching/simulation-usecase/6/fig2 | train | materials_science | atomic_layer_etching | null | simulation | [
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"data": "| Time (s) | DC Self-Bias (V) | Cl₂ Flow (seccm) | P (mTorr) |\n|----------|------------------|------------------|-----------|\n| 0 | 0 | 0 | 22 |\n| 1 | 0 | 20 | 22 |\n| 2 | -60 ... | [
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FIG. 1. Schematic of the experimental apparatus. The plasma is powered by an inductively coupled coil at the top and by a RF biased substrate stage. The major measurements are of the etch rate (via laser interferometry) and optical emission spectroscopy of species near the silicon substrate being etched during the $\m... | sci_imageminer__atomic_layer_etching__simulation_usecase__6__fig_1 | atomic-layer-etching/simulation-usecase/6/fig_1 | train | materials_science | atomic_layer_etching | null | simulation | [
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FIG. 10. OES signals for atomic Si (bottom line), SiCl (top line), and $\mathrm{SiCl_2}$ (middle line) for $80\mathrm{eVAr^{+}}$ Results are shown for two ALE cycles. The signal for SiCl is multiplied by 10 and the signal for $\mathrm{SiCl_2}$ is multiplied by 100. The atomic Si signal is modified to account for ... | sci_imageminer__atomic_layer_etching__simulation_usecase__6__fig_10 | atomic-layer-etching/simulation-usecase/6/fig_10 | train | materials_science | atomic_layer_etching | null | simulation | [
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... | [
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FIG. 11. Si OES modified to account for dissociative excitation of SiCl as a function of time for various $\mathrm{Ar^{+}}$ energies. Results are shown for two ALE cycles. The top line corresponds to results for $215\mathrm{eV}$ , the middle line for $80\mathrm{eV}$ , and the bottom line for $45\mathrm{eV}$ . | sci_imageminer__atomic_layer_etching__simulation_usecase__6__fig_11 | atomic-layer-etching/simulation-usecase/6/fig_11 | train | materials_science | atomic_layer_etching | null | simulation | [
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"data": "| Time (s) | 45 eV | 80 eV | 215 eV |\n|----------|--------|--------|---------|\n| 0 | 0 | 0 | 0 |\n| 1 | ~20k | ~60k | ~180k |\n| 2 | ~20k | ~60k | ~180k |\n| 5 | ~20k | ~60k | ~180k |\n| 6 | 0 | 0 ... | [
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FIG. 12. Normalized atomic Si counts as a function of $\mathsf{Ar}^+$ fluence for various $\mathsf{Ar}^+$ energies. Subfigure (a) shows the results for OES experiments (using the modified OES Si signals) and subfigure (b) shows results from MD ALE simulations. For both the OES and MD results, the counts are normali... | sci_imageminer__atomic_layer_etching__simulation_usecase__6__fig_12 | atomic-layer-etching/simulation-usecase/6/fig_12 | train | materials_science | atomic_layer_etching | null | simulation | [
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FIG. 13. Normalized SiCl counts as a function of $\mathsf{Ar}^+$ fluence for various $\mathsf{Ar}^+$ energies. Subfigure (a) shows the results for OES experiments and subfigure (b) shows results from MD ALE simulations. For both the OES and MD results, the counts are normalized using the value at the peak observed ... | sci_imageminer__atomic_layer_etching__simulation_usecase__6__fig_13 | atomic-layer-etching/simulation-usecase/6/fig_13 | train | materials_science | atomic_layer_etching | null | simulation | [
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FIG. 14. Normalized $\mathrm{SiCl}_2$ counts as a function of $\mathsf{Ar}^+$ fluence for various $\mathsf{Ar}^+$ energies. Subfigure (a) shows the results for OES experiments and subfigure (b) shows results from MD ALE simulations. For both the OES and MD results, the counts are normalized using the value at the... | sci_imageminer__atomic_layer_etching__simulation_usecase__6__fig_14 | atomic-layer-etching/simulation-usecase/6/fig_14 | train | materials_science | atomic_layer_etching | null | simulation | [
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FIG. 15. Normalized atomic Cl counts as a function of $\mathsf{Ar}^+$ fluence. Subfigure (a) shows the results for OES experiments (where the ion energy is estimated to be about $85\mathrm{eV}$ ) and subfigure (b) shows results from MD ALE simulations where the ion energy is $80\mathrm{eV}$ . In both cases, the res... | sci_imageminer__atomic_layer_etching__simulation_usecase__6__fig_15 | atomic-layer-etching/simulation-usecase/6/fig_15 | train | materials_science | atomic_layer_etching | null | simulation | [
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FIG. 3. Side views of the simulations cell at various values of $\mathsf{Ar}^+$ fluences during the ion bombardment step. The snapshot with the label of $0\mathrm{ML}$ of $\mathsf{Ar}^+$ refers to the simulation cell immediately after the chlorination step, before ion bombardment has begun. Translucent yellow sph... | sci_imageminer__atomic_layer_etching__simulation_usecase__6__fig_3 | atomic-layer-etching/simulation-usecase/6/fig_3 | train | materials_science | atomic_layer_etching | null | simulation | [
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FIG. 4. Top views of the simulations cell at various values of $\mathsf{Ar}^+$ fluences during the ion bombardment step corresponding to Fig. 3 (80 eV ion energy). The surface of the cell can be seen to be nearly saturated with $\mathrm{Cl}$ before ion bombardment has begun (i.e., $0\mathrm{ML}$ fluence). After ... | sci_imageminer__atomic_layer_etching__simulation_usecase__6__fig_4 | atomic-layer-etching/simulation-usecase/6/fig_4 | train | materials_science | atomic_layer_etching | null | simulation | [
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FIG. 5. Depiction of the near-surface phenomena during $\mathsf{Ar^+}$ bombardment in $\mathrm{Si - Cl_2 - Ar}$ ALE as observed in MD simulations. The regions labeled by red brackets and separated by red dashed lines are the Cl layer, amorphous mixed layer, and crystalline Si region. The green arrows indicate the m... | sci_imageminer__atomic_layer_etching__simulation_usecase__6__fig_5 | atomic-layer-etching/simulation-usecase/6/fig_5 | train | materials_science | atomic_layer_etching | null | simulation | [
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FIG. 6. Amount of Si etched (in units of $\mathrm{A}$ ) (blue lines) and Cl uptake (red lines) as a function of cycle number for $\mathrm{Si - Cl_2 - Ar}$ ALE simulation using $100\mathrm{eV}$ $\mathrm{Ar^+}$ . One cycle consists of $28.2\mathrm{ML}$ of $\mathrm{Cl}_2$ molecule impacts and $28.2\mathrm{ML}$ o... | sci_imageminer__atomic_layer_etching__simulation_usecase__6__fig_6 | atomic-layer-etching/simulation-usecase/6/fig_6 | train | materials_science | atomic_layer_etching | null | simulation | [
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"data": "| Cycle Number | Si Etched (Å) | Cl Uptake (Cl/cm² × 10¹⁵) |\n|--------------|----------------|----------------------------|\n| 0 | 0 | 0.10 |\n| 1 | 32 | 0.22 |\n| 2 | 32 ... | [
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FIG. 7. Amount of Si etched in units of $\dot{A}$ (blue lines) and Cl uptake (red lines) during the final cycle for the $\mathrm{Si - Cl_2 - Ar}$ ALE simulation using $100\mathrm{eVAr^{+}}$ The final portion of the ion bombardment step (purple dashed-dotted line) is used to calculate the etch yield shown as the p... | sci_imageminer__atomic_layer_etching__simulation_usecase__6__fig_7 | atomic-layer-etching/simulation-usecase/6/fig_7 | train | materials_science | atomic_layer_etching | null | simulation | [
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"data": "| Species Dosage (Cl₂ or Ar⁺/cm²) × 10¹⁵ | Si Etched (Å) | Cl Uptake (Cl/cm²) × 10¹⁵ |\n|----------------------------------------|---------------|----------------------------|\n| 0 | 0 | 0 |\n| 10 ... | [
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FIG. 8. Etch per cycle (EPC) in units of nm/cycle for experiments (black squares) and MD simulations (red triangles) as a function of $\mathsf{Ar}^+$ energy. Error bars represent $95\%$ confidence intervals. | sci_imageminer__atomic_layer_etching__simulation_usecase__6__fig_8 | atomic-layer-etching/simulation-usecase/6/fig_8 | train | materials_science | atomic_layer_etching | null | simulation | [
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"data": "| Ion Energy (eV) | EPC (Experiments, nm/cycle) | EPC (MD Simulations, nm/cycle) |\n|-----------------|-----------------------------|---------------------------------|\n| 0 | 0.0 | 0.0 |\n| 25 | 0.3 ... | [
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FIG. 9. OES signals for atomic Si (middle line), SiCl (top line), and $\mathrm{SiCl_2}$ (bottom line) for $80\mathrm{eVAr^{+}}$ Results are shown for two ALE cycles. The relative intensities of the emission intensity have been adjusted for clarity and do not correspond to densities, in general. The signal for SiCl ... | sci_imageminer__atomic_layer_etching__simulation_usecase__6__fig_9 | atomic-layer-etching/simulation-usecase/6/fig_9 | train | materials_science | atomic_layer_etching | null | simulation | [
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"data": "| Time (s) | Si (arb. units) | SiCl (arb. units) | SiCl₂ (arb. units) |\n|----------|------------------|-------------------|---------------------|\n| 0 | 0 | 0 | 0 |\n| 1 | 150000 | 200000 | 25000... | [
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FIG. 1. (a) Simplified MicroLED structure where surface damage increasingly limits the external quantum efficiency as devices scale down. (b) The general structure of a GaN MISHEMT device showing the recess into the GaN layer. Etching of the recess using reactive ion etching can lead to a rough interface, degrading the... | sci_imageminer__atomic_layer_etching__simulation_usecase__8__fig_1 | atomic-layer-etching/simulation-usecase/8/fig_1 | train | materials_science | atomic_layer_etching | null | simulation | [
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"summary": "A cross-sectional view of a GaN MISHEMT structure, including etch damage due to ion etching."
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"authors": "Nicholas J. Chittock $\\oplus$ ; Yi Shu; Simon D. Elliott $\\oplus$ ; Harm C. M. Knoops $\\oplus$ ; W. M. M. (Erwin). Kessels $\\oplus$ ; Adriaan J. M. Mackus $\\oplus$",
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FIG. 10. Atomic percentages of F, O, S, and C at the etched surface from XPS as a function of ALE cycles at $300^{\circ}\mathrm{C}$ . Lines are a guide to the eye. | sci_imageminer__atomic_layer_etching__simulation_usecase__8__fig_10 | atomic-layer-etching/simulation-usecase/8/fig_10 | train | materials_science | atomic_layer_etching | null | simulation | [
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"data": "| ALE cycles | O1s | C1s | F1s | S2p |\n|---|---|---|---|---|\n| 0 | 15 | 14 | 2 | 0 |\n| 10 | 10 | 6 | 6 | 2 |\n| 20 | 10 | 6 | 6 | 2 |\n| 30 | 9 | 6 | 6 | 2 |\n| 50 | 9 | 6 | 6 | 2 |\n| 70 | 8 | 6 | 6 | 2 |"
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"source_image_path": "train/atomic-layer-etching/simulation-usecase/8/images/fig_... | train/atomic-layer-etching/simulation-usecase/8/images/fig_10.jpg | train/atomic-layer-etching/simulation-usecase/8/images/fig_10.json | train/atomic-layer-etching/simulation-usecase/8/content.json | Isotropic atomic layer etching of GaN using $\mathsf{SF}_6$ plasma and $\mathsf{Al(CH_3)_3}$ | Nicholas J. Chittock $\oplus$ ; Yi Shu; Simon D. Elliott $\oplus$ ; Harm C. M. Knoops $\oplus$ ; W. M. M. (Erwin). Kessels $\oplus$ ; Adriaan J. M. Mackus $\oplus$ | 10.1063/510158129 | https://doi.org/10.1063/510158129 | 2,023 | Isotropic atomic layer etching of GaN using SF6 plasma and AI(CH3)3.pdf | fig_10 | 672 | 523 | JPEG | 7d4203d2e3fc71c45b8db07875f185d4938aca0c30b59898cbbec80ccec72bea | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
FIG. 11. Al2p XPS peak area and peak binding energy after 30 ALE cycles as a function of table temperature. The binding energies of $\mathrm{AlF}_3$ and $\mathrm{Al}_2\mathrm{O}_3$ have been included as dashed lines to show the transition between the two binding environments. The insets show the fitted Al2p XPS spe... | sci_imageminer__atomic_layer_etching__simulation_usecase__8__fig_11 | atomic-layer-etching/simulation-usecase/8/fig_11 | train | materials_science | atomic_layer_etching | null | simulation | [
{
"panel_id": "a",
"label": "multi-axis chart"
},
{
"panel_id": "b",
"label": "spectra chart"
}
] | [
{
"panel_id": "a",
"summary": "The chart shows the relationship between the table temperature and the Al2p peak area and peak binding energy of AlF3 and Al2O3."
},
{
"panel_id": "b",
"summary": "The inset spectra chart displays the intensity of Al2p peaks at different binding energies."
}
] | [
{
"panel_id": "a",
"data": "| Table temperature°C | Al2p peak area (CPS eV) | Peak binding energy (eV) |\n|---|---|---|\n| 100 | 17000 | 76.0 |\n| 125 | 17000 | 76.0 |\n| 150 | 15000 | 76.0 |\n| 175 | 5000 | 75.7|\n| 200 | 2000 | 74.7 |\n| 225 | 2000 | 74.5 |\n| 250 | 2000 | 74.7 |\n| 275 | 2000 | 74.5 |\n|... | [
{
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"question_type": "Process-Oriented",
"question": "What could be the reason for the shift from AlF3 to Al2O3 upon increasing the table temperature?",
"answer_type": "Paragraph",
"answer": "A reason could be that fluorine species get more volatile at higher temperatures, meaning... | [
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"width": 162,
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] | {
"publication_title": "Isotropic atomic layer etching of GaN using $\\mathsf{SF}_6$ plasma and $\\mathsf{Al(CH_3)_3}$",
"authors": "Nicholas J. Chittock $\\oplus$ ; Yi Shu; Simon D. Elliott $\\oplus$ ; Harm C. M. Knoops $\\oplus$ ; W. M. M. (Erwin). Kessels $\\oplus$ ; Adriaan J. M. Mackus $\\oplus$",
... | {
"extraction_method": "MinerU",
"annotation_source": "Sci-ImageMiner per-image JSON",
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"source_image_path": "train/atomic-layer-etching/simulation-usecase/8/images/fig_... | train/atomic-layer-etching/simulation-usecase/8/images/fig_11.jpg | train/atomic-layer-etching/simulation-usecase/8/images/fig_11.json | train/atomic-layer-etching/simulation-usecase/8/content.json | Isotropic atomic layer etching of GaN using $\mathsf{SF}_6$ plasma and $\mathsf{Al(CH_3)_3}$ | Nicholas J. Chittock $\oplus$ ; Yi Shu; Simon D. Elliott $\oplus$ ; Harm C. M. Knoops $\oplus$ ; W. M. M. (Erwin). Kessels $\oplus$ ; Adriaan J. M. Mackus $\oplus$ | 10.1063/510158129 | https://doi.org/10.1063/510158129 | 2,023 | Isotropic atomic layer etching of GaN using SF6 plasma and AI(CH3)3.pdf | fig_11 | 675 | 523 | JPEG | 63218294d8562bd5b4928ee54197b794d5e5ad6a6b60642f93d478db8a50da59 | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
FIG. 2. Schematic of the standard ALE process used in this work. Half-cycle A is a 10 s Ar/SF6 plasma. Half-cycle B is a TMA dose and hold, repeated four times per cycle. Each half-cycle ends with a purge before the next half-cycle. Pressure is maintained by an automated pressure controller and the inductively coupled ... | sci_imageminer__atomic_layer_etching__simulation_usecase__8__fig_2 | atomic-layer-etching/simulation-usecase/8/fig_2 | train | materials_science | atomic_layer_etching | null | simulation | [
{
"panel_id": "a",
"label": "process timing diagram"
}
] | [
{
"panel_id": "a",
"summary": "A process flow diagram illustrating the sequence of operations and gas flow rates during two half-cycles (A and B) in a plasma process."
}
] | [
{
"panel_id": "a",
"data": "| Time (s)| Ar (sccm)| SF6 (sccm)|TMA (pulses)|Pressure (mTorr)|ICP(W)|\n|---|---|---|---|---|---|\n|0-5|150|50|0|100|0|\n|5-15|150|50|0|100|100|\n|15-25|300|0|0|-|0|\n|25-33.4|10|0|4|150|0|\n|33.4-58.4|300|0|0|-|0|"
}
] | [
{
"panel_id": "a",
"question_type": "Process-Oriented",
"question": "What processing gas is used in this reactor?",
"answer_type": "Paragraph",
"answer": "Argon is used as processing gas, this is usually done as it is inert."
},
{
"panel_id": "a",
"question_type": "Process-Oriented",... | [
{
"panel_id": "a",
"x": 0,
"y": 1,
"width": 1181,
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] | {
"publication_title": "Isotropic atomic layer etching of GaN using $\\mathsf{SF}_6$ plasma and $\\mathsf{Al(CH_3)_3}$",
"authors": "Nicholas J. Chittock $\\oplus$ ; Yi Shu; Simon D. Elliott $\\oplus$ ; Harm C. M. Knoops $\\oplus$ ; W. M. M. (Erwin). Kessels $\\oplus$ ; Adriaan J. M. Mackus $\\oplus$",
... | {
"extraction_method": "MinerU",
"annotation_source": "Sci-ImageMiner per-image JSON",
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"content_source": "repository_content_json",
"doi_extraction_method": "page0_regex",
"source_image_path": "train/atomic-layer-etching/simulation-usecase/8/images/fig_... | train/atomic-layer-etching/simulation-usecase/8/images/fig_2.jpg | train/atomic-layer-etching/simulation-usecase/8/images/fig_2.json | train/atomic-layer-etching/simulation-usecase/8/content.json | Isotropic atomic layer etching of GaN using $\mathsf{SF}_6$ plasma and $\mathsf{Al(CH_3)_3}$ | Nicholas J. Chittock $\oplus$ ; Yi Shu; Simon D. Elliott $\oplus$ ; Harm C. M. Knoops $\oplus$ ; W. M. M. (Erwin). Kessels $\oplus$ ; Adriaan J. M. Mackus $\oplus$ | 10.1063/510158129 | https://doi.org/10.1063/510158129 | 2,023 | Isotropic atomic layer etching of GaN using SF6 plasma and AI(CH3)3.pdf | fig_2 | 1,180 | 380 | JPEG | 9dc79fe7b0aa8f325ed2fa6c0f4b450c3f96ff065c77c6b568863a1891c4907d | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
FIG. 3. (a) Contributions of Ga-O and Ga-N to the Ga3d peak area plotted as a function of sputter depth. The vertical dashed line indicates the spectra shown in (b). (b) The Ga3d signal after $20\mathrm{s}$ of sputtering, highlighting the positions of the Ga-O and the Ga-N peaks at $20.5$ and $19.3\mathrm{eV}$ , r... | sci_imageminer__atomic_layer_etching__simulation_usecase__8__fig_3 | atomic-layer-etching/simulation-usecase/8/fig_3 | train | materials_science | atomic_layer_etching | null | simulation | [
{
"panel_id": "a",
"label": "multiple scatter plot"
},
{
"panel_id": "b",
"label": "multi spectra chart"
}
] | [
{
"panel_id": "a",
"summary": "The line chart shows the peak area of XPS signals for Ga-N and Ga-O as a function of sputter depth."
},
{
"panel_id": "b",
"summary": "The spectrum displays the XPS counts at various binding energies for Ga-N and Ga-O."
}
] | [
{
"panel_id": "a",
"data": "| Sputter depth (nm)| Peak area (CPS eV) Ga-O| Peak area (CPS eV) Ga-N|\n|---|---|---|\n| 0 | 4000 |0|\n|5|1300|4500|\n|10|1000|5000|\n|15|1000|5000|\n|20|1000|5000|\n|25|0|5700|\n|30|0|6000|\n|35|0|5700|\n|40|0|500|"
},
{
"panel_id": "b",
"data": "| Binding energy (e... | [
{
"panel_id": "a",
"question_type": "Comparative/Trend",
"question": "From what depth of sputtering is there no Ga-O in the film?",
"answer_type": "Factoid",
"answer": "From 25 nm and deeper."
},
{
"panel_id": "a",
"question_type": "Process-Oriented",
"question": "Can the type of... | [
{
"panel_id": "a",
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{
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"x": 384,
"y": 12,
"width": 282,
"height": 427
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] | {
"publication_title": "Isotropic atomic layer etching of GaN using $\\mathsf{SF}_6$ plasma and $\\mathsf{Al(CH_3)_3}$",
"authors": "Nicholas J. Chittock $\\oplus$ ; Yi Shu; Simon D. Elliott $\\oplus$ ; Harm C. M. Knoops $\\oplus$ ; W. M. M. (Erwin). Kessels $\\oplus$ ; Adriaan J. M. Mackus $\\oplus$",
... | {
"extraction_method": "MinerU",
"annotation_source": "Sci-ImageMiner per-image JSON",
"classification_source": "repository_annotation_json",
"content_source": "repository_content_json",
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"source_image_path": "train/atomic-layer-etching/simulation-usecase/8/images/fig_... | train/atomic-layer-etching/simulation-usecase/8/images/fig_3.jpg | train/atomic-layer-etching/simulation-usecase/8/images/fig_3.json | train/atomic-layer-etching/simulation-usecase/8/content.json | Isotropic atomic layer etching of GaN using $\mathsf{SF}_6$ plasma and $\mathsf{Al(CH_3)_3}$ | Nicholas J. Chittock $\oplus$ ; Yi Shu; Simon D. Elliott $\oplus$ ; Harm C. M. Knoops $\oplus$ ; W. M. M. (Erwin). Kessels $\oplus$ ; Adriaan J. M. Mackus $\oplus$ | 10.1063/510158129 | https://doi.org/10.1063/510158129 | 2,023 | Isotropic atomic layer etching of GaN using SF6 plasma and AI(CH3)3.pdf | fig_3 | 666 | 439 | JPEG | 0fbb2af112ef01912077536debaaf5db30ba88d38524a44e12689328bc495902 | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
FIG. 4. Gibbs free energy change $(\Delta \mathbb{G})$ as a function of temperature for the fluorination half-cycle considering both the conversion (blue) and chemical vapor etching (red) reactions. Solid lines indicate plasma fluorination reactions (F radicals), while the thermal fluorination reactions (HF) are indi... | sci_imageminer__atomic_layer_etching__simulation_usecase__8__fig_4 | atomic-layer-etching/simulation-usecase/8/fig_4 | train | materials_science | atomic_layer_etching | null | simulation | [
{
"panel_id": "a",
"label": "multiple line chart"
}
] | [
{
"panel_id": "a",
"summary": "The chart illustrates the change in Gibbs free energy (ΔG) per unit GaN with respect to temperature for various etching methods."
}
] | [
{
"panel_id": "a",
"data": "| Temperature (°C) | ΔG (eV/GaN) HF CVE |ΔG (eV/GaN) HF conversion |ΔG (eV/GaN) TMA ligand-exchange |ΔG (eV/GaN) F radical CVE |ΔG (eV/GaN) F radical conversion |\n|---|---|---|---|---|---|\n|-200 | 0 |-3|-0.5|-18.5|-21|\n|-100 | 0 |-2|-1|-18|-20|\n|0 | 0.5 |-2|-1.5|-16|-19|\n|10... | [
{
"panel_id": "a",
"question_type": "Process-Oriented",
"question": "What is more energetically favorable with resect to temperature, the use of HF or the use of SF6?",
"answer_type": "Paragraph",
"answer": "The use of F radicals in a plasma as this lowers the gibbs energy the most."
},
{
... | [
{
"panel_id": "a",
"x": 5,
"y": 3,
"width": 650,
"height": 532
}
] | {
"publication_title": "Isotropic atomic layer etching of GaN using $\\mathsf{SF}_6$ plasma and $\\mathsf{Al(CH_3)_3}$",
"authors": "Nicholas J. Chittock $\\oplus$ ; Yi Shu; Simon D. Elliott $\\oplus$ ; Harm C. M. Knoops $\\oplus$ ; W. M. M. (Erwin). Kessels $\\oplus$ ; Adriaan J. M. Mackus $\\oplus$",
... | {
"extraction_method": "MinerU",
"annotation_source": "Sci-ImageMiner per-image JSON",
"classification_source": "repository_annotation_json",
"content_source": "repository_content_json",
"doi_extraction_method": "page0_regex",
"source_image_path": "train/atomic-layer-etching/simulation-usecase/8/images/fig_... | train/atomic-layer-etching/simulation-usecase/8/images/fig_4.jpg | train/atomic-layer-etching/simulation-usecase/8/images/fig_4.json | train/atomic-layer-etching/simulation-usecase/8/content.json | Isotropic atomic layer etching of GaN using $\mathsf{SF}_6$ plasma and $\mathsf{Al(CH_3)_3}$ | Nicholas J. Chittock $\oplus$ ; Yi Shu; Simon D. Elliott $\oplus$ ; Harm C. M. Knoops $\oplus$ ; W. M. M. (Erwin). Kessels $\oplus$ ; Adriaan J. M. Mackus $\oplus$ | 10.1063/510158129 | https://doi.org/10.1063/510158129 | 2,023 | Isotropic atomic layer etching of GaN using SF6 plasma and AI(CH3)3.pdf | fig_4 | 655 | 536 | JPEG | 7d6b9f50ee937491497f376e2869e192b48ae880553407ddd7efe6e64fda2846 | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
FIG. 5. Saturation curves at 150 and $300^{\circ}\mathrm{C}$ for (a) $\mathrm{SF}_6$ plasma exposure using $10\times 100\mathrm{ms}$ TMA exposures and (b) varied number of $100\mathrm{ms}$ TMA pulses with a $10\mathrm{s}$ $\mathrm{SF}_6$ plasma step, determined over 30 ALE cycles. Lines are guides for the eye... | sci_imageminer__atomic_layer_etching__simulation_usecase__8__fig_5 | atomic-layer-etching/simulation-usecase/8/fig_5 | train | materials_science | atomic_layer_etching | null | simulation | [
{
"panel_id": "a",
"label": "multiple scatter plot"
},
{
"panel_id": "b",
"label": "multiple scatter plot"
}
] | [
{
"panel_id": "a",
"summary": "The line chart shows the relationship between SF₆ plasma time and EPC (nm/cycle) at two temperatures, 300°C and 150°C."
},
{
"panel_id": "b",
"summary": "The line chart illustrates the relationship between TMA pulses and EPC (nm/cycle) at two temperatures, 300°C an... | [
{
"panel_id": "a",
"data": "| SF₆ plasma time (s) | EPC (nm/cycle) 300 degrees |EPC (nm/cycle) 150 degrees |\n|---|---|---|\n| 0 | 0.0 |0.0|\n| 5 | 0.37 |0.27|\n| 10 | 0.4 |0.3|\n| 15 | 0.41 |0.31|\n| 30 | 0.41 |0.35|"
},
{
"panel_id": "b",
"data": "| TMA pulses | EPC (nm/cycle) 300 degrees |EPC... | [
{
"panel_id": "a",
"question_type": "Process-Oriented",
"question": "Why is the saturated EPC higher for higher temperatures?",
"answer_type": "Paragraph",
"answer": "It could be that the penetration depth of the radical species increases for increasing temperature."
},
{
"panel_id": "a"... | [
{
"panel_id": "a",
"x": 1,
"y": 4,
"width": 371,
"height": 491
},
{
"panel_id": "b",
"x": 387,
"y": 4,
"width": 284,
"height": 491
}
] | {
"publication_title": "Isotropic atomic layer etching of GaN using $\\mathsf{SF}_6$ plasma and $\\mathsf{Al(CH_3)_3}$",
"authors": "Nicholas J. Chittock $\\oplus$ ; Yi Shu; Simon D. Elliott $\\oplus$ ; Harm C. M. Knoops $\\oplus$ ; W. M. M. (Erwin). Kessels $\\oplus$ ; Adriaan J. M. Mackus $\\oplus$",
... | {
"extraction_method": "MinerU",
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"source_image_path": "train/atomic-layer-etching/simulation-usecase/8/images/fig_... | train/atomic-layer-etching/simulation-usecase/8/images/fig_5.jpg | train/atomic-layer-etching/simulation-usecase/8/images/fig_5.json | train/atomic-layer-etching/simulation-usecase/8/content.json | Isotropic atomic layer etching of GaN using $\mathsf{SF}_6$ plasma and $\mathsf{Al(CH_3)_3}$ | Nicholas J. Chittock $\oplus$ ; Yi Shu; Simon D. Elliott $\oplus$ ; Harm C. M. Knoops $\oplus$ ; W. M. M. (Erwin). Kessels $\oplus$ ; Adriaan J. M. Mackus $\oplus$ | 10.1063/510158129 | https://doi.org/10.1063/510158129 | 2,023 | Isotropic atomic layer etching of GaN using SF6 plasma and AI(CH3)3.pdf | fig_5 | 672 | 497 | JPEG | 1e113ad972d50cdcbb71c899949dd8438e8817b409c65ad77c1e2e150dd82304 | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
FIG. 6. Synergy plot for GaN using $\mathrm{SF}_6$ plasma and TMA at $300^{\circ}\mathrm{C}$ . The first 25 pulses only involve dosing $\mathrm{SF}_6$ plasma, the next 25 pulses only TMA, and the last 75 cycles are full ALE cycles with both $\mathrm{SF}_6$ plasma and TMA dosed. The inset shows the transition bet... | sci_imageminer__atomic_layer_etching__simulation_usecase__8__fig_6 | atomic-layer-etching/simulation-usecase/8/fig_6 | train | materials_science | atomic_layer_etching | null | simulation | [
{
"panel_id": "a",
"label": "scatter plot"
}
] | [
{
"panel_id": "a",
"summary": "The line chart illustrates the relationship between film thickness and pulses/cycles, showing a decreasing trend if both reactants are dosed."
}
] | [
{
"panel_id": "a",
"data": "| Pulses/Cycles | Film thickness (nm) |\n|---|---|\n| 0 | 43 |\n| 25 | 43 |\n| 50 | 42 |\n| 75 | 33 |\n| 100 | 25 |\n| 125 | 18 |"
}
] | [
{
"panel_id": "a",
"question_type": "Process-Oriented",
"question": "Based on the first 50 pulses/cycles, what is the etch per cycle and where can this be found?",
"answer_type": "Paragraph",
"answer": "At 25 pulses/cycles the SF6 plasma dosing is switched with TMA dosing, here a drop of 0.33 nm... | [
{
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"x": 2,
"y": 1,
"width": 669,
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] | {
"publication_title": "Isotropic atomic layer etching of GaN using $\\mathsf{SF}_6$ plasma and $\\mathsf{Al(CH_3)_3}$",
"authors": "Nicholas J. Chittock $\\oplus$ ; Yi Shu; Simon D. Elliott $\\oplus$ ; Harm C. M. Knoops $\\oplus$ ; W. M. M. (Erwin). Kessels $\\oplus$ ; Adriaan J. M. Mackus $\\oplus$",
... | {
"extraction_method": "MinerU",
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"source_image_path": "train/atomic-layer-etching/simulation-usecase/8/images/fig_... | train/atomic-layer-etching/simulation-usecase/8/images/fig_6.jpg | train/atomic-layer-etching/simulation-usecase/8/images/fig_6.json | train/atomic-layer-etching/simulation-usecase/8/content.json | Isotropic atomic layer etching of GaN using $\mathsf{SF}_6$ plasma and $\mathsf{Al(CH_3)_3}$ | Nicholas J. Chittock $\oplus$ ; Yi Shu; Simon D. Elliott $\oplus$ ; Harm C. M. Knoops $\oplus$ ; W. M. M. (Erwin). Kessels $\oplus$ ; Adriaan J. M. Mackus $\oplus$ | 10.1063/510158129 | https://doi.org/10.1063/510158129 | 2,023 | Isotropic atomic layer etching of GaN using SF6 plasma and AI(CH3)3.pdf | fig_6 | 675 | 511 | JPEG | 70cbbc1d040332c998b1f83d703cf4869dcce8e0f3b3e92ee8e499447d0d13be | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
FIG. 7. GaN EPC as a function of table temperature. Data for $\mathrm{Al}_2\mathrm{O}_3$ ALE using the same $\mathrm{SF}_6$ plasma/TMA chemistry are shown from our previous work. Thermal GaN ALE with $\mathrm{XeF}_2 / \mathrm{BCl}_3$ is also included in the plot. Lines are guides to the eye. | sci_imageminer__atomic_layer_etching__simulation_usecase__8__fig_7 | atomic-layer-etching/simulation-usecase/8/fig_7 | train | materials_science | atomic_layer_etching | null | simulation | [
{
"panel_id": "a",
"label": "multiple scatter plot"
}
] | [
{
"panel_id": "a",
"summary": "The chart shows the EPC (nm/cycle) of Plasma ALE GaN, Plasma ALE Al₂O₃, and Thermal ALE GaN at various temperatures. The data points are connected by lines, indicating trends over temperature."
}
] | [
{
"panel_id": "a",
"data": "| Temperature (°C) | Plasma ALE GaN | Plasma ALE Al₂O₃ | Thermal ALE GaN |\n|-----------------|----------------|------------------|----------------|\n| 100 | 0.0 | 0.0 | 0.0 |\n| 150 | 0.2 | 0.0 | 0.... | [
{
"panel_id": "a",
"question_type": "Process-Oriented",
"question": "Is there a selectivity window with the SF6/TMA chemistry?",
"answer_type": "Paragraph",
"answer": "Yes there is a selectivity window between 100 and 175 degrees celcius, so GaN can be etched selectively wrt Al2O3."
},
{
... | [
{
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"x": 4,
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] | {
"publication_title": "Isotropic atomic layer etching of GaN using $\\mathsf{SF}_6$ plasma and $\\mathsf{Al(CH_3)_3}$",
"authors": "Nicholas J. Chittock $\\oplus$ ; Yi Shu; Simon D. Elliott $\\oplus$ ; Harm C. M. Knoops $\\oplus$ ; W. M. M. (Erwin). Kessels $\\oplus$ ; Adriaan J. M. Mackus $\\oplus$",
... | {
"extraction_method": "MinerU",
"annotation_source": "Sci-ImageMiner per-image JSON",
"classification_source": "repository_annotation_json",
"content_source": "repository_content_json",
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FIG. 8. AFM height maps for (a) the as-deposited $43 \text{nm}$ thick GaN film and (b) after $25 \text{nm}$ ALE at $300^{\circ} \text{C}$ using the standard recipe shown in Fig. 2. | sci_imageminer__atomic_layer_etching__simulation_usecase__8__fig_8 | atomic-layer-etching/simulation-usecase/8/fig_8 | train | materials_science | atomic_layer_etching | null | simulation | [
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FIG. 9. RMS roughness as a function of etched thickness, plotted alongside the fitted change in RMS roughness as obtained using the curvature-dependent model from Ref. 85. | sci_imageminer__atomic_layer_etching__simulation_usecase__8__fig_9 | atomic-layer-etching/simulation-usecase/8/fig_9 | train | materials_science | atomic_layer_etching | null | simulation | [
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Fig. A1. Convergce tests for atomic layr nmber and cutoff energies for DFT calculations. (a) Variation of adsorption energy of chlorine with layer number, cutoff energies of $50 / 200\mathrm{Ry}$ were applied. (b) Variation of total system energy with cutoff energies for wave function and electron density, the cutoff... | sci_imageminer__atomic_layer_etching__simulation_usecase__9__1efb120580ad0809db6986794a53a1e9c383b07153d625e10037bb0738d83671 | atomic-layer-etching/simulation-usecase/9/1efb120580ad0809db6986794a53a1e9c383b07153d625e10037bb0738d83671 | train | materials_science | atomic_layer_etching | null | simulation | [
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Fig. A2. Variation of the lowest excitation energy with the number of Si atoms of the cluster, insets are the molecular structures of the associated clusters. | sci_imageminer__atomic_layer_etching__simulation_usecase__9__42b2341dcb88232a2b3d8fc38fe7c5cbc5345d5e59715edb80a39db016f6f34c | atomic-layer-etching/simulation-usecase/9/42b2341dcb88232a2b3d8fc38fe7c5cbc5345d5e59715edb80a39db016f6f34c | train | materials_science | atomic_layer_etching | null | simulation | [
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"data": "| Number of Si atoms | Excitation energy (eV) |\n|---|---|\n| 0 | - |\n| 3 | 4.1 |\n| 7 | 3.7 |\n| 11 | 3.6 |\n| 15 | 3.2 |\n| 24 | 3.2 |\n| 34 | 3.1 |"
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Fig. A3. Algorithm for the calculation of time evolution. | sci_imageminer__atomic_layer_etching__simulation_usecase__9__7baa4716e9481baedd41b98299641dd1d9d8c7a8d8822302e69201e249736830 | atomic-layer-etching/simulation-usecase/9/7baa4716e9481baedd41b98299641dd1d9d8c7a8d8822302e69201e249736830 | train | materials_science | atomic_layer_etching | null | simulation | [
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Fig. 1. Schematic of the photo-assistant ALE of chlorinated Si surfaces. The surface is modified by chlorine to weaken the back-bonds of target Si atomic layer; and then the modified Si layer is selectively removed/desorbed by $\mathrm{Ar^{+}}$ bombardment assisted by photo-irradiation. | sci_imageminer__atomic_layer_etching__simulation_usecase__9__fig_1 | atomic-layer-etching/simulation-usecase/9/fig_1 | train | materials_science | atomic_layer_etching | null | simulation | [
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... | train/atomic-layer-etching/simulation-usecase/9/images/fig_1.jpg | train/atomic-layer-etching/simulation-usecase/9/images/fig_1.json | train/atomic-layer-etching/simulation-usecase/9/content.json | Mechanism of photo-assisted atomic layer etching of chlorinated Si(111) surfaces: Insights from DFT/TDDFT calculations | Peizhi Wang a, Marco Castelli a, Fengzhou Fang a,b,* | null | null | null | Mechanism of photoassisted atomic layer etching of chlorinated Si(111) surfaces Insight.pdf | fig_1 | 689 | 425 | JPEG | 0d7386079879a4c65d4488c35a3873eed97fb098d29f4d0a90b72fe2a3a3c523 | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
Fig. 2. (a) Front and top views of the Si(111) - $(4\times 2)$ surface geometry, dark yellow atoms are Si-adatom and Si-restatom with a dangling bond, the red dotted lines are periodic boundary conditions (PBC). (b) The optimized geometry of chlorinated Si(111) surface, a $\mathrm{SiCl_2}$ is generated on the adato... | sci_imageminer__atomic_layer_etching__simulation_usecase__9__fig_2 | atomic-layer-etching/simulation-usecase/9/fig_2 | train | materials_science | atomic_layer_etching | null | simulation | [
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... | train/atomic-layer-etching/simulation-usecase/9/images/fig_2.jpg | train/atomic-layer-etching/simulation-usecase/9/images/fig_2.json | train/atomic-layer-etching/simulation-usecase/9/content.json | Mechanism of photo-assisted atomic layer etching of chlorinated Si(111) surfaces: Insights from DFT/TDDFT calculations | Peizhi Wang a, Marco Castelli a, Fengzhou Fang a,b,* | null | null | null | Mechanism of photoassisted atomic layer etching of chlorinated Si(111) surfaces Insight.pdf | fig_2 | 689 | 489 | JPEG | dec9e23c207527f6d3ad021cf1adc21a15abf38527994fe04d1f2d0ae3d06c57 | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
Fig. 3. (a) Potential energy curve for $\mathrm{SiCl_2}$ on the optimized Si(111) surface, here blue dots are the calculated data, and red line is the fitting function. $Z = 0$ represents the equilibrium position, and insets are the local views of the desorbed species. (b) Potential energy curve for the Si-adatom (... | sci_imageminer__atomic_layer_etching__simulation_usecase__9__fig_3 | atomic-layer-etching/simulation-usecase/9/fig_3 | train | materials_science | atomic_layer_etching | null | simulation | [
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Fig. 4. Molecular structure of the selected cluster for TDDFT calculations. The cluster was extracted from the optimized slab (see Fig. 2(b)) and selected by convergence tests (see Fig. A2). | sci_imageminer__atomic_layer_etching__simulation_usecase__9__fig_4 | atomic-layer-etching/simulation-usecase/9/fig_4 | train | materials_science | atomic_layer_etching | null | simulation | [
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Fig. 5. HOMO and LOMO diagrams within the localized $\mathrm{SiCl_2}$ region, side view of Fig. 4 is selected for a better visualization. | sci_imageminer__atomic_layer_etching__simulation_usecase__9__fig_5 | atomic-layer-etching/simulation-usecase/9/fig_5 | train | materials_science | atomic_layer_etching | null | simulation | [
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... | train/atomic-layer-etching/simulation-usecase/9/images/fig_5.jpg | train/atomic-layer-etching/simulation-usecase/9/images/fig_5.json | train/atomic-layer-etching/simulation-usecase/9/content.json | Mechanism of photo-assisted atomic layer etching of chlorinated Si(111) surfaces: Insights from DFT/TDDFT calculations | Peizhi Wang a, Marco Castelli a, Fengzhou Fang a,b,* | null | null | null | Mechanism of photoassisted atomic layer etching of chlorinated Si(111) surfaces Insight.pdf | fig_5 | 692 | 530 | JPEG | e8eddd960164b42c2dfd44f1a1c9230c10aa0819b7d9f0774d7c2ea3f0e20f6c | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
Fig. 6. Hole and electron distributions related to the lowest excitation, $\mathrm{pink} =$ hole, blue $=$ electron, hole indicates the loss of electron. | sci_imageminer__atomic_layer_etching__simulation_usecase__9__fig_6 | atomic-layer-etching/simulation-usecase/9/fig_6 | train | materials_science | atomic_layer_etching | null | simulation | [
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... | train/atomic-layer-etching/simulation-usecase/9/images/fig_6.jpg | train/atomic-layer-etching/simulation-usecase/9/images/fig_6.json | train/atomic-layer-etching/simulation-usecase/9/content.json | Mechanism of photo-assisted atomic layer etching of chlorinated Si(111) surfaces: Insights from DFT/TDDFT calculations | Peizhi Wang a, Marco Castelli a, Fengzhou Fang a,b,* | null | null | null | Mechanism of photoassisted atomic layer etching of chlorinated Si(111) surfaces Insight.pdf | fig_6 | 692 | 516 | JPEG | 1b13061363998db8f668fe9b23d918d065610ed93ce871cde1d77a242464713f | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 | |
Fig. 7. Schematic of the energy conversion process and snapshots of the density distribution with time evolution, the distributions on excited-state and ground-state potential energy curves are represented by solid and dashed lines, respectively. The vertical line $Z = Z_{d}$ is the defined critical value, the $\mat... | sci_imageminer__atomic_layer_etching__simulation_usecase__9__fig_7 | atomic-layer-etching/simulation-usecase/9/fig_7 | train | materials_science | atomic_layer_etching | null | simulation | [
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"summary": "The figure illustrates the potential energy of a system as a function of surface coordinate Z at various time points (t=0 fs, t=5 fs, t=10 fs, t=400 fs). It shows the transition between the ground state and excited state, with terms like 'Excitation', 'Quenching', and 'Evolvin... | [
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"data": "| Surface coordinate Z (Å) | Potential energy (eV) Ground state | Potential energy (eV) Excited state | Density Ground state |Density Excited state |\n|---|---|---|---|---|\n|-0.7 | 3 |4.2|-|-|\n| 0 | 0 |3.1|Peak|Peak|\n| 1 | 1.6 |2.6|-|-|\n| 2 | 2.4 |2.5|-|-|\n| 3 | 2.5 |2.5|-|-... | [
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"answer": "The critical distance is 3 angstroms, this is the distance from which a SiCl2 unit is defined to be fully desorbed."
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... | train/atomic-layer-etching/simulation-usecase/9/images/fig_7.jpg | train/atomic-layer-etching/simulation-usecase/9/images/fig_7.json | train/atomic-layer-etching/simulation-usecase/9/content.json | Mechanism of photo-assisted atomic layer etching of chlorinated Si(111) surfaces: Insights from DFT/TDDFT calculations | Peizhi Wang a, Marco Castelli a, Fengzhou Fang a,b,* | null | null | null | Mechanism of photoassisted atomic layer etching of chlorinated Si(111) surfaces Insight.pdf | fig_7 | 666 | 470 | JPEG | 3588df2fe5c35bd9f911f66bc1602725f1a2716519139c855aec31c9fbf7a99f | null | null | CC BY 4.0 | source_publisher_rights_reserved | non_commercial_research_use_only | 1.0.0 |
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