From 0a35cb25d9cc7d87c7f363bf7db950579dc470a7 Mon Sep 17 00:00:00 2001
From: VsevolodX <79542055+VsevolodX@users.noreply.github.com>
Date: Thu, 26 Dec 2024 11:43:37 -0800
Subject: [PATCH 01/11] feat: add high-k tutorial (claude)

---
 ...heterostructure-high-k-metal-gate-stack.md | 163 ++++++++++++++++++
 1 file changed, 163 insertions(+)
 create mode 100644 lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md

diff --git a/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md b/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
new file mode 100644
index 00000000..515b0d3a
--- /dev/null
+++ b/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
@@ -0,0 +1,163 @@
+# Creating High-k Metal Gate Stack: Si/SiO2/HfO2/TiN
+
+## Introduction
+
+This tutorial demonstrates how to create a high-k metal gate stack heterostructure consisting of four materials: Si (substrate), SiO2 (gate oxide), HfO2 (high-k dielectric), and TiN (metal gate). We'll use a sequential approach combining Zero Strain Layer (ZSL) and simple interface builders.
+
+The process involves first creating a critical Si/SiO2 interface using strain matching, then adding subsequent layers using simple interface builder to maintain the established structure.
+
+!!!note "Process Overview"
+    1. Create Si/SiO2 interface using ZSL matching (most critical interface)
+    2. Add HfO2 layer using simple interface builder
+    3. Add TiN layer using simple interface builder
+
+## 1. Set Up Materials
+
+First, navigate to Materials Designer and import the following materials from Standata:
+- Silicon (Si)
+- Silicon dioxide (SiO2)
+- Hafnium dioxide (HfO2)
+- Titanium nitride (TiN)
+
+![Materials Import](/images/tutorials/materials/interfaces/highk_metal_gate/materials-import.webp "Materials Import")
+
+## 2. Create Si/SiO2 Interface
+
+### 2.1. Launch First JupyterLite Session
+
+Select "Advanced > JupyterLite Transformation" and open the `create_interface_with_min_strain_zsl.ipynb` notebook.
+
+### 2.2. Configure ZSL Interface Parameters
+
+Modify the notebook parameters for the Si/SiO2 interface:
+
+```python
+# Global parameters
+MAX_AREA = 200  # Maximum area for strain matching
+MAX_AREA_RATIO_TOL = 0.25  # Maximum area ratio tolerance
+MAX_ANGLE_TOLERANCE = 0.15  # Maximum angle tolerance
+MAX_LENGTH_TOLERANCE = 0.15  # Maximum length tolerance
+
+# Structure parameters
+FILM_INDEX = 1  # SiO2
+FILM_MILLER_INDICES = (1, 0, 0)
+FILM_THICKNESS = 3
+FILM_VACUUM = 0.0
+FILM_USE_ORTHOGONAL_Z = True
+
+SUBSTRATE_INDEX = 0  # Si
+SUBSTRATE_MILLER_INDICES = (1, 0, 0)
+SUBSTRATE_THICKNESS = 4
+SUBSTRATE_VACUUM = 5.0
+SUBSTRATE_USE_ORTHOGONAL_Z = True
+
+INTERFACE_DISTANCE = 2.5  # Angstroms
+INTERFACE_VACUUM = 5.0  # Angstroms
+```
+
+### 2.3. Run ZSL Interface Creation
+
+Run the notebook to create the Si/SiO2 interface. The process will:
+1. Generate possible interfaces with different strains
+2. Plot strain vs. number of atoms
+3. Select the optimal interface configuration
+
+![Strain Plot](/images/tutorials/materials/interfaces/highk_metal_gate/strain-plot.webp "Strain vs Atoms Plot")
+
+## 3. Add HfO2 Layer
+
+### 3.1. Launch Second JupyterLite Session
+
+Open the `create_interface_with_no_strain.ipynb` notebook for adding the HfO2 layer.
+
+### 3.2. Configure Simple Interface Parameters
+
+Set the parameters for adding HfO2:
+
+```python
+# Enable scaling of film to match substrate
+ENABLE_FILM_SCALING = True
+CREATE_SLABS = False
+
+FILM_INDEX = 0  # HfO2
+FILM_MILLER_INDICES = (0, 0, 1)
+FILM_THICKNESS = 4
+FILM_VACUUM = 0.5
+FILM_XY_SUPERCELL_MATRIX = [[1, 0], [0, 2]]
+
+SUBSTRATE_INDEX = 1  # Previous Si/SiO2 structure
+SUBSTRATE_MILLER_INDICES = (0, 0, 1)
+SUBSTRATE_THICKNESS = 1  # Use full previous structure
+SUBSTRATE_VACUUM = 0.5
+
+INTERFACE_DISTANCE = 2.5  # Angstroms
+INTERFACE_VACUUM = 0.5  # Angstroms
+```
+
+### 3.3. Add HfO2 Layer
+
+Run the notebook to add the HfO2 layer. The simple interface builder will:
+1. Scale the HfO2 layer to match the substrate
+2. Position it at the specified distance
+3. Create the three-layer structure
+
+## 4. Add TiN Layer
+
+### 4.1. Configure TiN Layer Parameters
+
+In the same notebook or a new instance, set parameters for adding TiN:
+
+```python
+FILM_INDEX = 1  # TiN
+FILM_MILLER_INDICES = (0, 0, 1)
+FILM_THICKNESS = 3
+FILM_VACUUM = 10.0  # Final vacuum layer
+FILM_USE_ORTHOGONAL_Z = True
+
+SUBSTRATE_INDEX = 0  # Previous Si/SiO2/HfO2 structure
+SUBSTRATE_MILLER_INDICES = (0, 0, 1)
+SUBSTRATE_THICKNESS = 1
+SUBSTRATE_VACUUM = 0.0
+
+INTERFACE_DISTANCE = 2.5  # Angstroms
+INTERFACE_VACUUM = 10.0  # Final vacuum spacing
+```
+
+### 4.2. Complete the Stack
+
+Run the notebook one final time to add the TiN layer and complete the stack.
+
+## 5. Final Structure
+
+The final high-k metal gate stack should show:
+1. Crystalline Si substrate
+2. Well-matched Si/SiO2 interface
+3. HfO2 high-k dielectric layer
+4. TiN metal gate layer
+5. Appropriate vacuum spacing
+
+![Final Stack](/images/tutorials/materials/interfaces/highk_metal_gate/final-stack.webp "Complete High-k Metal Gate Stack")
+
+## Important Notes
+
+1. The Si/SiO2 interface is created using strain matching because it's the most critical interface for device performance
+2. Subsequent layers use simple interface builder to maintain the established structure
+3. Vacuum spacing is important between layers and at the top of the structure
+4. Miller indices and thicknesses can be adjusted based on specific requirements
+5. The final structure can be saved or exported for further analysis
+
+## References
+
+1. **D. A. Muller et al.**
+    "The electronic structure at the atomic scale of ultrathin gate oxides"
+    Nature 399, 758–761 (1999)
+    [DOI: 10.1038/21602](https://doi.org/10.1038/21602)
+
+2. **J. Robertson**
+    "High dielectric constant gate oxides for metal oxide Si transistors"
+    Reports on Progress in Physics 69, 327 (2006)
+    [DOI: 10.1088/0034-4885/69/2/R02](https://doi.org/10.1088/0034-4885/69/2/R02)
+
+## Tags
+
+`interfaces`, `high-k`, `metal-gate`, `semiconductor`, `heterostructure`, `strain-matching`
\ No newline at end of file

From 31eeadc6f4f8cdc597054b92a99ff470a8854837 Mon Sep 17 00:00:00 2001
From: VsevolodX <79542055+VsevolodX@users.noreply.github.com>
Date: Thu, 26 Dec 2024 11:53:43 -0800
Subject: [PATCH 02/11] update: create slabs before (claude)

---
 ...heterostructure-high-k-metal-gate-stack.md | 167 +++++++++---------
 1 file changed, 88 insertions(+), 79 deletions(-)

diff --git a/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md b/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
index 515b0d3a..823ce09c 100644
--- a/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
+++ b/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
@@ -2,41 +2,72 @@
 
 ## Introduction
 
-This tutorial demonstrates how to create a high-k metal gate stack heterostructure consisting of four materials: Si (substrate), SiO2 (gate oxide), HfO2 (high-k dielectric), and TiN (metal gate). We'll use a sequential approach combining Zero Strain Layer (ZSL) and simple interface builders.
-
-The process involves first creating a critical Si/SiO2 interface using strain matching, then adding subsequent layers using simple interface builder to maintain the established structure.
-
-!!!note "Process Overview"
-    1. Create Si/SiO2 interface using ZSL matching (most critical interface)
-    2. Add HfO2 layer using simple interface builder
-    3. Add TiN layer using simple interface builder
+This tutorial demonstrates how to create a high-k metal gate stack heterostructure consisting of four materials: Si (substrate), SiO2 (gate oxide), HfO2 (high-k dielectric), and TiN (metal gate). The process involves:
+1. Creating individual slabs for HfO2 and TiN
+2. Building the Si/SiO2 interface using strain matching
+3. Adding the pre-created slabs sequentially using simple interface builder
 
 ## 1. Set Up Materials
 
-First, navigate to Materials Designer and import the following materials from Standata:
+First, navigate to Materials Designer and import from Standata:
 - Silicon (Si)
 - Silicon dioxide (SiO2)
 - Hafnium dioxide (HfO2)
 - Titanium nitride (TiN)
 
-![Materials Import](/images/tutorials/materials/interfaces/highk_metal_gate/materials-import.webp "Materials Import")
+## 2. Create HfO2 and TiN Slabs
+
+Before building the stack, we need to create properly terminated slabs for HfO2 and TiN.
+
+### 2.1. Create HfO2 Slab
+
+Open `create_slab_with_termination.ipynb` and set parameters:
+
+```python
+# HfO2 slab parameters
+MILLER_INDICES = (0, 0, 1)
+THICKNESS = 4  # atomic layers
+VACUUM = 0.5  # Angstroms
+XY_SUPERCELL_MATRIX = [[1, 0], [0, 2]]
+USE_ORTHOGONAL_Z = True
+USE_CONVENTIONAL_CELL = True
+
+# Select termination (usually first one is fine)
+TERMINATION_INDEX = 0
+```
+
+Run the notebook to create and save the HfO2 slab.
+
+### 2.2. Create TiN Slab
 
-## 2. Create Si/SiO2 Interface
+Open another instance of `create_slab_with_termination.ipynb` for TiN:
 
-### 2.1. Launch First JupyterLite Session
+```python
+# TiN slab parameters
+MILLER_INDICES = (0, 0, 1)
+THICKNESS = 3  # atomic layers
+VACUUM = 10.0  # Angstroms - more vacuum for final layer
+XY_SUPERCELL_MATRIX = [[1, 0], [0, 1]]
+USE_ORTHOGONAL_Z = True
+USE_CONVENTIONAL_CELL = True
+
+TERMINATION_INDEX = 0
+```
+
+Run the notebook to create and save the TiN slab.
 
-Select "Advanced > JupyterLite Transformation" and open the `create_interface_with_min_strain_zsl.ipynb` notebook.
+## 3. Create Si/SiO2 Interface
 
-### 2.2. Configure ZSL Interface Parameters
+### 3.1. Launch ZSL Interface Builder
 
-Modify the notebook parameters for the Si/SiO2 interface:
+Open `create_interface_with_min_strain_zsl.ipynb` and configure:
 
 ```python
 # Global parameters
 MAX_AREA = 200  # Maximum area for strain matching
-MAX_AREA_RATIO_TOL = 0.25  # Maximum area ratio tolerance
-MAX_ANGLE_TOLERANCE = 0.15  # Maximum angle tolerance
-MAX_LENGTH_TOLERANCE = 0.15  # Maximum length tolerance
+MAX_AREA_RATIO_TOL = 0.25
+MAX_ANGLE_TOLERANCE = 0.15
+MAX_LENGTH_TOLERANCE = 0.15
 
 # Structure parameters
 FILM_INDEX = 1  # SiO2
@@ -55,109 +86,87 @@ INTERFACE_DISTANCE = 2.5  # Angstroms
 INTERFACE_VACUUM = 5.0  # Angstroms
 ```
 
-### 2.3. Run ZSL Interface Creation
-
-Run the notebook to create the Si/SiO2 interface. The process will:
-1. Generate possible interfaces with different strains
-2. Plot strain vs. number of atoms
-3. Select the optimal interface configuration
-
-![Strain Plot](/images/tutorials/materials/interfaces/highk_metal_gate/strain-plot.webp "Strain vs Atoms Plot")
+### 3.2. Create Initial Interface
 
-## 3. Add HfO2 Layer
+Run the notebook to create the Si/SiO2 interface. This is the most critical interface, so we use strain matching to optimize it.
 
-### 3.1. Launch Second JupyterLite Session
+## 4. Add HfO2 Layer
 
-Open the `create_interface_with_no_strain.ipynb` notebook for adding the HfO2 layer.
+### 4.1. Configure Simple Interface Builder
 
-### 3.2. Configure Simple Interface Parameters
-
-Set the parameters for adding HfO2:
+Open `create_interface_with_no_strain.ipynb` and set:
 
 ```python
-# Enable scaling of film to match substrate
+# Important: Disable slab creation since we're using pre-created slab
 ENABLE_FILM_SCALING = True
-CREATE_SLABS = False
-
-FILM_INDEX = 0  # HfO2
-FILM_MILLER_INDICES = (0, 0, 1)
-FILM_THICKNESS = 4
-FILM_VACUUM = 0.5
-FILM_XY_SUPERCELL_MATRIX = [[1, 0], [0, 2]]
+CREATE_SLABS = False  # We already have our HfO2 slab
 
-SUBSTRATE_INDEX = 1  # Previous Si/SiO2 structure
-SUBSTRATE_MILLER_INDICES = (0, 0, 1)
-SUBSTRATE_THICKNESS = 1  # Use full previous structure
-SUBSTRATE_VACUUM = 0.5
+FILM_INDEX = 0  # Pre-created HfO2 slab
+SUBSTRATE_INDEX = 1  # Si/SiO2 structure
 
+# Interface parameters
 INTERFACE_DISTANCE = 2.5  # Angstroms
 INTERFACE_VACUUM = 0.5  # Angstroms
 ```
 
-### 3.3. Add HfO2 Layer
+### 4.2. Add HfO2
 
-Run the notebook to add the HfO2 layer. The simple interface builder will:
-1. Scale the HfO2 layer to match the substrate
-2. Position it at the specified distance
-3. Create the three-layer structure
+Run the notebook to add the pre-created HfO2 slab to the Si/SiO2 structure.
 
-## 4. Add TiN Layer
+## 5. Add TiN Layer
 
-### 4.1. Configure TiN Layer Parameters
+### 5.1. Configure Final Layer Addition
 
-In the same notebook or a new instance, set parameters for adding TiN:
+Use `create_interface_with_no_strain.ipynb` again:
 
 ```python
-FILM_INDEX = 1  # TiN
-FILM_MILLER_INDICES = (0, 0, 1)
-FILM_THICKNESS = 3
-FILM_VACUUM = 10.0  # Final vacuum layer
-FILM_USE_ORTHOGONAL_Z = True
+# Keep slabs disabled
+ENABLE_FILM_SCALING = True
+CREATE_SLABS = False  # Using pre-created TiN slab
 
-SUBSTRATE_INDEX = 0  # Previous Si/SiO2/HfO2 structure
-SUBSTRATE_MILLER_INDICES = (0, 0, 1)
-SUBSTRATE_THICKNESS = 1
-SUBSTRATE_VACUUM = 0.0
+FILM_INDEX = 1  # Pre-created TiN slab
+SUBSTRATE_INDEX = 0  # Si/SiO2/HfO2 structure
 
+# Final interface parameters
 INTERFACE_DISTANCE = 2.5  # Angstroms
 INTERFACE_VACUUM = 10.0  # Final vacuum spacing
 ```
 
-### 4.2. Complete the Stack
+### 5.2. Complete the Stack
 
-Run the notebook one final time to add the TiN layer and complete the stack.
+Run the notebook to add the TiN layer and complete the stack.
 
-## 5. Final Structure
+## 6. Analysis and Verification
 
-The final high-k metal gate stack should show:
-1. Crystalline Si substrate
-2. Well-matched Si/SiO2 interface
-3. HfO2 high-k dielectric layer
-4. TiN metal gate layer
-5. Appropriate vacuum spacing
+The final structure should show:
+1. Well-matched Si/SiO2 interface (from ZSL matching)
+2. Proper HfO2 slab orientation and termination
+3. Correct TiN slab placement and vacuum spacing
 
-![Final Stack](/images/tutorials/materials/interfaces/highk_metal_gate/final-stack.webp "Complete High-k Metal Gate Stack")
+Key characteristics to verify:
+- Interface distances between layers
+- Layer thicknesses
+- Surface terminations
+- Vacuum spacing
 
 ## Important Notes
 
-1. The Si/SiO2 interface is created using strain matching because it's the most critical interface for device performance
-2. Subsequent layers use simple interface builder to maintain the established structure
-3. Vacuum spacing is important between layers and at the top of the structure
-4. Miller indices and thicknesses can be adjusted based on specific requirements
-5. The final structure can be saved or exported for further analysis
+1. Creating slabs separately ensures proper terminations and orientations
+2. Setting `CREATE_SLABS = False` tells the interface builder to use pre-created slabs
+3. The Si/SiO2 interface uses strain matching for optimal contact
+4. Subsequent layers use simple interface builder to maintain structure
+5. Vacuum spacing is critical, especially for the final TiN layer
 
 ## References
 
 1. **D. A. Muller et al.**
     "The electronic structure at the atomic scale of ultrathin gate oxides"
     Nature 399, 758–761 (1999)
-    [DOI: 10.1038/21602](https://doi.org/10.1038/21602)
 
 2. **J. Robertson**
     "High dielectric constant gate oxides for metal oxide Si transistors"
     Reports on Progress in Physics 69, 327 (2006)
-    [DOI: 10.1088/0034-4885/69/2/R02](https://doi.org/10.1088/0034-4885/69/2/R02)
 
 ## Tags
 
-`interfaces`, `high-k`, `metal-gate`, `semiconductor`, `heterostructure`, `strain-matching`
\ No newline at end of file
+`slab-creation`, `interfaces`, `high-k`, `metal-gate`, `semiconductor`, `heterostructure`, `strain-matching`
\ No newline at end of file

From 62453962fd010dd1c1be0aebd6704503636e9fe3 Mon Sep 17 00:00:00 2001
From: VsevolodX <79542055+VsevolodX@users.noreply.github.com>
Date: Thu, 26 Dec 2024 12:22:45 -0800
Subject: [PATCH 03/11] update: adjustments

---
 ...heterostructure-high-k-metal-gate-stack.md | 49 +++++++++----------
 1 file changed, 24 insertions(+), 25 deletions(-)

diff --git a/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md b/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
index 823ce09c..97b88f3f 100644
--- a/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
+++ b/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
@@ -7,9 +7,11 @@ This tutorial demonstrates how to create a high-k metal gate stack heterostructu
 2. Building the Si/SiO2 interface using strain matching
 3. Adding the pre-created slabs sequentially using simple interface builder
 
+We use the [Materials Designer](../../../materials-designer/overview.md) to create the high-k metal gate stack.
+
 ## 1. Set Up Materials
 
-First, navigate to Materials Designer and import from Standata:
+First, navigate to Materials Designer and import from [Standata](../../../materials-designer/header-menu/input-output/standata-import.md) the following materials:
 - Silicon (Si)
 - Silicon dioxide (SiO2)
 - Hafnium dioxide (HfO2)
@@ -36,7 +38,9 @@ USE_CONVENTIONAL_CELL = True
 TERMINATION_INDEX = 0
 ```
 
-Run the notebook to create and save the HfO2 slab.
+Run the notebook to create the HfO2 slab and pass it to Materials Designer.
+
+![HfO2 slab](/images/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack/wave-result-hfo2-slab-wave.png "HfO2 slab")
 
 ### 2.2. Create TiN Slab
 
@@ -54,7 +58,9 @@ USE_CONVENTIONAL_CELL = True
 TERMINATION_INDEX = 0
 ```
 
-Run the notebook to create and save the TiN slab.
+Run the notebook to create and pass the TiN slab to Materials Designer.
+
+![TiN slab](/images/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack/wave-result-tin-slab.png "TiN slab")
 
 ## 3. Create Si/SiO2 Interface
 
@@ -65,27 +71,34 @@ Open `create_interface_with_min_strain_zsl.ipynb` and configure:
 ```python
 # Global parameters
 MAX_AREA = 200  # Maximum area for strain matching
-MAX_AREA_RATIO_TOL = 0.25
-MAX_ANGLE_TOLERANCE = 0.15
-MAX_LENGTH_TOLERANCE = 0.15
+MAX_AREA_RATIO_TOLERANCE = 0.25  # Maximum area ratio tolerance
+MAX_ANGLE_TOLERANCE = 0.15  # Maximum angle tolerance
+MAX_LENGTH_TOLERANCE = 0.15  # Maximum length tolerance
 
 # Structure parameters
 FILM_INDEX = 1  # SiO2
 FILM_MILLER_INDICES = (1, 0, 0)
 FILM_THICKNESS = 3
+FILM_XY_SUPERCELL_MATRIX = [[1, 0], [0, 1]]
 FILM_VACUUM = 0.0
 FILM_USE_ORTHOGONAL_Z = True
 
 SUBSTRATE_INDEX = 0  # Si
 SUBSTRATE_MILLER_INDICES = (1, 0, 0)
 SUBSTRATE_THICKNESS = 4
+SUBSTRATE_XY_SUPERCELL_MATRIX = [[1, 0], [0, 1]]
 SUBSTRATE_VACUUM = 5.0
 SUBSTRATE_USE_ORTHOGONAL_Z = True
 
 INTERFACE_DISTANCE = 2.5  # Angstroms
 INTERFACE_VACUUM = 5.0  # Angstroms
+TERMINATION_PAIR_INDEX = 0
 ```
 
+We set a higher tolerances to achieve smaller cell with higher strain of the film (SiO2).
+
+![Interface Setup](/images/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2.png "Interface Setup")
+
 ### 3.2. Create Initial Interface
 
 Run the notebook to create the Si/SiO2 interface. This is the most critical interface, so we use strain matching to optimize it.
@@ -113,6 +126,8 @@ INTERFACE_VACUUM = 0.5  # Angstroms
 
 Run the notebook to add the pre-created HfO2 slab to the Si/SiO2 structure.
 
+![Si/SiO2/HfO2](/images/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2.png "Si/SiO2/HfO2")
+
 ## 5. Add TiN Layer
 
 ### 5.1. Configure Final Layer Addition
@@ -136,36 +151,20 @@ INTERFACE_VACUUM = 10.0  # Final vacuum spacing
 
 Run the notebook to add the TiN layer and complete the stack.
 
-## 6. Analysis and Verification
-
-The final structure should show:
-1. Well-matched Si/SiO2 interface (from ZSL matching)
-2. Proper HfO2 slab orientation and termination
-3. Correct TiN slab placement and vacuum spacing
-
-Key characteristics to verify:
-- Interface distances between layers
-- Layer thicknesses
-- Surface terminations
-- Vacuum spacing
-
-## Important Notes
+![Final Stack](/images/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2-tin.png "Final Stack")
 
-1. Creating slabs separately ensures proper terminations and orientations
-2. Setting `CREATE_SLABS = False` tells the interface builder to use pre-created slabs
-3. The Si/SiO2 interface uses strain matching for optimal contact
-4. Subsequent layers use simple interface builder to maintain structure
-5. Vacuum spacing is critical, especially for the final TiN layer
 
 ## References
 
 1. **D. A. Muller et al.**
     "The electronic structure at the atomic scale of ultrathin gate oxides"
     Nature 399, 758–761 (1999)
+    [DOI: 10.1038/21602](https://doi.org/10.1038/21602)
 
 2. **J. Robertson**
     "High dielectric constant gate oxides for metal oxide Si transistors"
     Reports on Progress in Physics 69, 327 (2006)
+    [DOI: 10.1088/0034-4885/69/2/R02](https://doi.org/10.1088/0034-4885/69/2/R02)
 
 ## Tags
 

From 9ac7202f262c61c0b772ea73163575b40e5de180 Mon Sep 17 00:00:00 2001
From: VsevolodX <79542055+VsevolodX@users.noreply.github.com>
Date: Thu, 26 Dec 2024 13:16:16 -0800
Subject: [PATCH 04/11] update: cleanup

---
 ...heterostructure-high-k-metal-gate-stack.md | 28 +++++++++++++------
 mkdocs.yml                                    |  1 +
 2 files changed, 20 insertions(+), 9 deletions(-)

diff --git a/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md b/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
index 97b88f3f..5db94c1a 100644
--- a/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
+++ b/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
@@ -17,12 +17,16 @@ First, navigate to Materials Designer and import from [Standata](../../../materi
 - Hafnium dioxide (HfO2)
 - Titanium nitride (TiN)
 
+![Standata Import](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/import-standata.png "Standata Import")
+
 ## 2. Create HfO2 and TiN Slabs
 
 Before building the stack, we need to create properly terminated slabs for HfO2 and TiN.
 
 ### 2.1. Create HfO2 Slab
 
+More detailed instructions on slab creation can be found in the [SrTiO3 Slab](slab-strontium-titanate.md) tutorial.
+
 Open `create_slab_with_termination.ipynb` and set parameters:
 
 ```python
@@ -40,7 +44,7 @@ TERMINATION_INDEX = 0
 
 Run the notebook to create the HfO2 slab and pass it to Materials Designer.
 
-![HfO2 slab](/images/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack/wave-result-hfo2-slab-wave.png "HfO2 slab")
+![HfO2 slab](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-hfo2-slab-wave.png "HfO2 slab")
 
 ### 2.2. Create TiN Slab
 
@@ -60,7 +64,7 @@ TERMINATION_INDEX = 0
 
 Run the notebook to create and pass the TiN slab to Materials Designer.
 
-![TiN slab](/images/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack/wave-result-tin-slab.png "TiN slab")
+![TiN slab](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-tin-slab.png "TiN slab")
 
 ## 3. Create Si/SiO2 Interface
 
@@ -69,13 +73,11 @@ Run the notebook to create and pass the TiN slab to Materials Designer.
 Open `create_interface_with_min_strain_zsl.ipynb` and configure:
 
 ```python
-# Global parameters
 MAX_AREA = 200  # Maximum area for strain matching
 MAX_AREA_RATIO_TOLERANCE = 0.25  # Maximum area ratio tolerance
 MAX_ANGLE_TOLERANCE = 0.15  # Maximum angle tolerance
 MAX_LENGTH_TOLERANCE = 0.15  # Maximum length tolerance
 
-# Structure parameters
 FILM_INDEX = 1  # SiO2
 FILM_MILLER_INDICES = (1, 0, 0)
 FILM_THICKNESS = 3
@@ -97,7 +99,7 @@ TERMINATION_PAIR_INDEX = 0
 
 We set a higher tolerances to achieve smaller cell with higher strain of the film (SiO2).
 
-![Interface Setup](/images/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2.png "Interface Setup")
+![Interface Setup](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2.png "Interface Setup")
 
 ### 3.2. Create Initial Interface
 
@@ -107,6 +109,8 @@ Run the notebook to create the Si/SiO2 interface. This is the most critical inte
 
 ### 4.1. Configure Simple Interface Builder
 
+Open JupyterLite Session again and select the Si/SiO2 interface and HfO2 slab as input materials.
+
 Open `create_interface_with_no_strain.ipynb` and set:
 
 ```python
@@ -114,24 +118,30 @@ Open `create_interface_with_no_strain.ipynb` and set:
 ENABLE_FILM_SCALING = True
 CREATE_SLABS = False  # We already have our HfO2 slab
 
-FILM_INDEX = 0  # Pre-created HfO2 slab
-SUBSTRATE_INDEX = 1  # Si/SiO2 structure
+FILM_INDEX = 1  # Pre-created HfO2 slab
+SUBSTRATE_INDEX = 0  # Si/SiO2 structure
 
 # Interface parameters
 INTERFACE_DISTANCE = 2.5  # Angstroms
 INTERFACE_VACUUM = 0.5  # Angstroms
 ```
 
+Film is the material that will be strained (scaled) to match the substrate.
+
+![HfO2 Interface Setup](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2-hfo2.png "HfO2 Interface Setup")
+
 ### 4.2. Add HfO2
 
 Run the notebook to add the pre-created HfO2 slab to the Si/SiO2 structure.
 
-![Si/SiO2/HfO2](/images/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2.png "Si/SiO2/HfO2")
+![Si/SiO2/HfO2](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2.png "Si/SiO2/HfO2")
 
 ## 5. Add TiN Layer
 
 ### 5.1. Configure Final Layer Addition
 
+Similar to steps in Section 4, we add the TiN layer to the Si/SiO2/HfO2 stack.
+
 Use `create_interface_with_no_strain.ipynb` again:
 
 ```python
@@ -151,7 +161,7 @@ INTERFACE_VACUUM = 10.0  # Final vacuum spacing
 
 Run the notebook to add the TiN layer and complete the stack.
 
-![Final Stack](/images/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2-tin.png "Final Stack")
+![Final Stack](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2-tin.png "Final Stack")
 
 
 ## References
diff --git a/mkdocs.yml b/mkdocs.yml
index 0a00fdd7..cc6638f3 100644
--- a/mkdocs.yml
+++ b/mkdocs.yml
@@ -232,6 +232,7 @@ nav:
                 - Interface between Graphene and hBN:                          tutorials/materials/specific/interface-2d-2d-graphene-boron-nitride.md
                 - Interface between Copper and SiO2 (Cristobalite):                  tutorials/materials/specific/interface-3d-3d-copper-silicon-dioxide.md
                 - Interface between Graphene and SiO2 (alpha-quartz):                tutorials/materials/specific/interface-2d-3d-graphene-silicon-dioxide.md
+                - High-k Metal Gate Stack:                                      tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
 
 # COMMON UI COMPONENTS
     - Interface Components:

From 8083f99ccd226730a0bf3cd758a897a4d723af11 Mon Sep 17 00:00:00 2001
From: VsevolodX <79542055+VsevolodX@users.noreply.github.com>
Date: Thu, 26 Dec 2024 13:17:24 -0800
Subject: [PATCH 05/11] update: add images

---
 .../import-standata.webp                           |  3 +++
 .../jl-setup-notebook-si-sio2-hfo2.webp            |  3 +++
 .../jl-setup-notebook-si-sio2.webp                 |  3 +++
 .../wave-result-hfo2-slab-wave.webp                |  3 +++
 .../wave-result-si-sio2-hfo2-tin.webp              |  3 +++
 .../wave-result-si-sio2-hfo2.webp                  |  3 +++
 .../wave-result-si-sio2.webp                       |  3 +++
 .../wave-result-tin-slab.webp                      |  3 +++
 .../heterostructure-high-k-metal-gate-stack.md     | 14 +++++++-------
 9 files changed, 31 insertions(+), 7 deletions(-)
 create mode 100644 images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/import-standata.webp
 create mode 100644 images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2-hfo2.webp
 create mode 100644 images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2.webp
 create mode 100644 images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-hfo2-slab-wave.webp
 create mode 100644 images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2-tin.webp
 create mode 100644 images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2.webp
 create mode 100644 images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2.webp
 create mode 100644 images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-tin-slab.webp

diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/import-standata.webp b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/import-standata.webp
new file mode 100644
index 00000000..a298684f
--- /dev/null
+++ b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/import-standata.webp
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:bb90a8f4943f6dd344ce96c4a8e54784baafd5f7610d97523e792eab57c7ff10
+size 16862
diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2-hfo2.webp b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2-hfo2.webp
new file mode 100644
index 00000000..f7cc6d20
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+++ b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2-hfo2.webp
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:720eaa01f5784a0c82ec04e6efc1ab744e46a5ea2c8932321cc7a34cd8634ca8
+size 82860
diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2.webp b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2.webp
new file mode 100644
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--- /dev/null
+++ b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2.webp
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:008c906434c0d009def475af1b3a6b2ea4bafb1c6d5981350cec26c0ab46fd01
+size 82388
diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-hfo2-slab-wave.webp b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-hfo2-slab-wave.webp
new file mode 100644
index 00000000..f951edea
--- /dev/null
+++ b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-hfo2-slab-wave.webp
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:3a063176f63f669de07943877fc3dc4611b57b3be1c82de977cc11e0b019e937
+size 64904
diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2-tin.webp b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2-tin.webp
new file mode 100644
index 00000000..0f4dad93
--- /dev/null
+++ b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2-tin.webp
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:4ba7f96e40b7c72ee7b87d0fcfeaacb8ef9b7513e2b7d54db7cdf2b36922d3da
+size 21586
diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2.webp b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2.webp
new file mode 100644
index 00000000..4693b6d4
--- /dev/null
+++ b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2.webp
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:e803177653feab3cf31ecbd1a6dd97675cdbe05d8a4969462726a26458094fe6
+size 76972
diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2.webp b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2.webp
new file mode 100644
index 00000000..0dd47dd7
--- /dev/null
+++ b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2.webp
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:9562aaa9ba42b4ebf798b7383a62cc8475525139f0a075f1c8c24f9de6f3b6af
+size 75426
diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-tin-slab.webp b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-tin-slab.webp
new file mode 100644
index 00000000..827760e8
--- /dev/null
+++ b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-tin-slab.webp
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:12ba1e82c2e3adda5ed90b7d667c133ac5bb2481f34515c241daf1b8ff49db62
+size 50316
diff --git a/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md b/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
index 5db94c1a..0be3233c 100644
--- a/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
+++ b/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
@@ -17,7 +17,7 @@ First, navigate to Materials Designer and import from [Standata](../../../materi
 - Hafnium dioxide (HfO2)
 - Titanium nitride (TiN)
 
-![Standata Import](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/import-standata.png "Standata Import")
+![Standata Import](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/import-standata.webp "Standata Import")
 
 ## 2. Create HfO2 and TiN Slabs
 
@@ -44,7 +44,7 @@ TERMINATION_INDEX = 0
 
 Run the notebook to create the HfO2 slab and pass it to Materials Designer.
 
-![HfO2 slab](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-hfo2-slab-wave.png "HfO2 slab")
+![HfO2 slab](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-hfo2-slab-wave.webp "HfO2 slab")
 
 ### 2.2. Create TiN Slab
 
@@ -64,7 +64,7 @@ TERMINATION_INDEX = 0
 
 Run the notebook to create and pass the TiN slab to Materials Designer.
 
-![TiN slab](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-tin-slab.png "TiN slab")
+![TiN slab](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-tin-slab.webp "TiN slab")
 
 ## 3. Create Si/SiO2 Interface
 
@@ -99,7 +99,7 @@ TERMINATION_PAIR_INDEX = 0
 
 We set a higher tolerances to achieve smaller cell with higher strain of the film (SiO2).
 
-![Interface Setup](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2.png "Interface Setup")
+![Interface Setup](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2.webp "Interface Setup")
 
 ### 3.2. Create Initial Interface
 
@@ -128,13 +128,13 @@ INTERFACE_VACUUM = 0.5  # Angstroms
 
 Film is the material that will be strained (scaled) to match the substrate.
 
-![HfO2 Interface Setup](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2-hfo2.png "HfO2 Interface Setup")
+![HfO2 Interface Setup](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2-hfo2.webp "HfO2 Interface Setup")
 
 ### 4.2. Add HfO2
 
 Run the notebook to add the pre-created HfO2 slab to the Si/SiO2 structure.
 
-![Si/SiO2/HfO2](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2.png "Si/SiO2/HfO2")
+![Si/SiO2/HfO2](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2.webp "Si/SiO2/HfO2")
 
 ## 5. Add TiN Layer
 
@@ -161,7 +161,7 @@ INTERFACE_VACUUM = 10.0  # Final vacuum spacing
 
 Run the notebook to add the TiN layer and complete the stack.
 
-![Final Stack](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2-tin.png "Final Stack")
+![Final Stack](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2-tin.webp "Final Stack")
 
 
 ## References

From 33623fafefec7a5ec0e1e9f81bd141c6432a60ab Mon Sep 17 00:00:00 2001
From: VsevolodX <79542055+VsevolodX@users.noreply.github.com>
Date: Thu, 26 Dec 2024 13:20:16 -0800
Subject: [PATCH 06/11] update: add original image

---
 .../original-figure.webp                                      | 3 +++
 .../specific/heterostructure-high-k-metal-gate-stack.md       | 4 +++-
 2 files changed, 6 insertions(+), 1 deletion(-)
 create mode 100644 images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/original-figure.webp

diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/original-figure.webp b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/original-figure.webp
new file mode 100644
index 00000000..b14cb116
--- /dev/null
+++ b/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/original-figure.webp
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:cfe23549c6b78fdde33983be0e800e3a107acacaf4dc958fba5a78e40d808625
+size 99962
diff --git a/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md b/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
index 0be3233c..9073d928 100644
--- a/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
+++ b/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
@@ -7,7 +7,9 @@ This tutorial demonstrates how to create a high-k metal gate stack heterostructu
 2. Building the Si/SiO2 interface using strain matching
 3. Adding the pre-created slabs sequentially using simple interface builder
 
-We use the [Materials Designer](../../../materials-designer/overview.md) to create the high-k metal gate stack.
+We use the [Materials Designer](../../../materials-designer/overview.md) to create the high-k metal gate stack as shown in the figure below.
+
+![High-k Metal Gate Stack](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/original-figure.webp "High-k Metal Gate Stack")
 
 ## 1. Set Up Materials
 

From a457c313e2b41a18c3623738f98f3c5ac881d451 Mon Sep 17 00:00:00 2001
From: VsevolodX <79542055+VsevolodX@users.noreply.github.com>
Date: Thu, 26 Dec 2024 13:23:40 -0800
Subject: [PATCH 07/11] update: add interactive notebook

---
 .../heterostructure-high-k-metal-gate-stack.md      | 13 +++++++++++++
 1 file changed, 13 insertions(+)

diff --git a/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md b/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
index 9073d928..956b58e0 100644
--- a/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
+++ b/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
@@ -165,6 +165,19 @@ Run the notebook to add the TiN layer and complete the stack.
 
 ![Final Stack](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2-tin.webp "Final Stack")
 
+The user then can [save or download](../../../materials-designer/header-menu/input-output.md) the material in Material JSON format or POSCAR format.
+
+## Interactive JupyterLite Notebook
+
+The following JupyterLite notebook demonstrates the process of creating material with island. Select "Run" > "Run All Cells".
+
+{% with origin_url=config.extra.jupyterlite.origin_url %}
+{% with notebooks_path_root=config.extra.jupyterlite.notebooks_path_root %}
+{% with notebook_name='specific_examples/heterostructure_high_k_metal_gate_stack.ipynb' %}
+{% include 'jupyterlite_embed.html' %}
+{% endwith %}
+{% endwith %}
+{% endwith %}
 
 ## References
 

From 630836ffdb113e78142ec0e18f7f198b7260289a Mon Sep 17 00:00:00 2001
From: VsevolodX <79542055+VsevolodX@users.noreply.github.com>
Date: Fri, 27 Dec 2024 12:24:10 -0800
Subject: [PATCH 08/11] update: add material to name

---
 ...icon-dioxide-hafnium-dioxide-titanium-nitride.md} | 12 ++++++++++--
 mkdocs.yml                                           |  2 +-
 2 files changed, 11 insertions(+), 3 deletions(-)
 rename lang/en/docs/tutorials/materials/specific/{heterostructure-high-k-metal-gate-stack.md => heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md} (97%)

diff --git a/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md b/lang/en/docs/tutorials/materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md
similarity index 97%
rename from lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
rename to lang/en/docs/tutorials/materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md
index 956b58e0..99e0ff0f 100644
--- a/lang/en/docs/tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
+++ b/lang/en/docs/tutorials/materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md
@@ -1,3 +1,8 @@
+---
+# YAML header
+render_macros: true
+---
+
 # Creating High-k Metal Gate Stack: Si/SiO2/HfO2/TiN
 
 ## Introduction
@@ -14,6 +19,7 @@ We use the [Materials Designer](../../../materials-designer/overview.md) to crea
 ## 1. Set Up Materials
 
 First, navigate to Materials Designer and import from [Standata](../../../materials-designer/header-menu/input-output/standata-import.md) the following materials:
+
 - Silicon (Si)
 - Silicon dioxide (SiO2)
 - Hafnium dioxide (HfO2)
@@ -181,12 +187,14 @@ The following JupyterLite notebook demonstrates the process of creating material
 
 ## References
 
-1. **D. A. Muller et al.**
+1. [QuantumATK tutorial](https://docs.quantumatk.com/tutorials/hkmg_builder/hkmg_builder.html)
+
+2. **D. A. Muller et al.**
     "The electronic structure at the atomic scale of ultrathin gate oxides"
     Nature 399, 758–761 (1999)
     [DOI: 10.1038/21602](https://doi.org/10.1038/21602)
 
-2. **J. Robertson**
+3. **J. Robertson**
     "High dielectric constant gate oxides for metal oxide Si transistors"
     Reports on Progress in Physics 69, 327 (2006)
     [DOI: 10.1088/0034-4885/69/2/R02](https://doi.org/10.1088/0034-4885/69/2/R02)
diff --git a/mkdocs.yml b/mkdocs.yml
index cc6638f3..5159fdeb 100644
--- a/mkdocs.yml
+++ b/mkdocs.yml
@@ -232,7 +232,7 @@ nav:
                 - Interface between Graphene and hBN:                          tutorials/materials/specific/interface-2d-2d-graphene-boron-nitride.md
                 - Interface between Copper and SiO2 (Cristobalite):                  tutorials/materials/specific/interface-3d-3d-copper-silicon-dioxide.md
                 - Interface between Graphene and SiO2 (alpha-quartz):                tutorials/materials/specific/interface-2d-3d-graphene-silicon-dioxide.md
-                - High-k Metal Gate Stack:                                      tutorials/materials/specific/heterostructure-high-k-metal-gate-stack.md
+                - High-k Metal Gate Stack (Si/SiO2/HfO2/TiN):                        tutorials/materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md
 
 # COMMON UI COMPONENTS
     - Interface Components:

From fcb050102217d66580231a68eb1030f692cf7614 Mon Sep 17 00:00:00 2001
From: VsevolodX <79542055+VsevolodX@users.noreply.github.com>
Date: Fri, 27 Dec 2024 12:28:56 -0800
Subject: [PATCH 09/11] update: address pr comments

---
 ...icon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/lang/en/docs/tutorials/materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md b/lang/en/docs/tutorials/materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md
index 99e0ff0f..972380d9 100644
--- a/lang/en/docs/tutorials/materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md
+++ b/lang/en/docs/tutorials/materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md
@@ -8,6 +8,7 @@ render_macros: true
 ## Introduction
 
 This tutorial demonstrates how to create a high-k metal gate stack heterostructure consisting of four materials: Si (substrate), SiO2 (gate oxide), HfO2 (high-k dielectric), and TiN (metal gate). The process involves:
+
 1. Creating individual slabs for HfO2 and TiN
 2. Building the Si/SiO2 interface using strain matching
 3. Adding the pre-created slabs sequentially using simple interface builder
@@ -175,7 +176,7 @@ The user then can [save or download](../../../materials-designer/header-menu/inp
 
 ## Interactive JupyterLite Notebook
 
-The following JupyterLite notebook demonstrates the process of creating material with island. Select "Run" > "Run All Cells".
+The following JupyterLite notebook demonstrates the process of creating target material. Select "Run" > "Run All Cells".
 
 {% with origin_url=config.extra.jupyterlite.origin_url %}
 {% with notebooks_path_root=config.extra.jupyterlite.notebooks_path_root %}
@@ -201,4 +202,5 @@ The following JupyterLite notebook demonstrates the process of creating material
 
 ## Tags
 
-`slab-creation`, `interfaces`, `high-k`, `metal-gate`, `semiconductor`, `heterostructure`, `strain-matching`
\ No newline at end of file
+`slab-creation`, `interfaces`, `high-k`, `metal-gate`, `semiconductor`, `heterostructure`, `strain-matching`, `Si`, `SiO2`, `HfO2`, `TiN`
+```
\ No newline at end of file

From 87c80b305f9462d37f127b32848f702fdf7b43e6 Mon Sep 17 00:00:00 2001
From: VsevolodX <79542055+VsevolodX@users.noreply.github.com>
Date: Fri, 27 Dec 2024 12:47:57 -0800
Subject: [PATCH 10/11] update: rename

---
 .../import-standata.webp                         |  0
 .../jl-setup-notebook-si-sio2-hfo2.webp          |  0
 .../jl-setup-notebook-si-sio2.webp               |  0
 .../original-figure.webp                         |  0
 .../wave-result-hfo2-slab-wave.webp              |  0
 .../wave-result-si-sio2-hfo2-tin.webp            |  0
 .../wave-result-si-sio2-hfo2.webp                |  0
 .../wave-result-si-sio2.webp                     |  0
 .../wave-result-tin-slab.webp                    |  0
 ...n-dioxide-hafnium-dioxide-titanium-nitride.md | 16 ++++++++--------
 10 files changed, 8 insertions(+), 8 deletions(-)
 rename images/tutorials/materials/heterostructures/{heterostructure-high-k-metal-gate-stack => heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride}/import-standata.webp (100%)
 rename images/tutorials/materials/heterostructures/{heterostructure-high-k-metal-gate-stack => heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride}/jl-setup-notebook-si-sio2-hfo2.webp (100%)
 rename images/tutorials/materials/heterostructures/{heterostructure-high-k-metal-gate-stack => heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride}/jl-setup-notebook-si-sio2.webp (100%)
 rename images/tutorials/materials/heterostructures/{heterostructure-high-k-metal-gate-stack => heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride}/original-figure.webp (100%)
 rename images/tutorials/materials/heterostructures/{heterostructure-high-k-metal-gate-stack => heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride}/wave-result-hfo2-slab-wave.webp (100%)
 rename images/tutorials/materials/heterostructures/{heterostructure-high-k-metal-gate-stack => heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride}/wave-result-si-sio2-hfo2-tin.webp (100%)
 rename images/tutorials/materials/heterostructures/{heterostructure-high-k-metal-gate-stack => heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride}/wave-result-si-sio2-hfo2.webp (100%)
 rename images/tutorials/materials/heterostructures/{heterostructure-high-k-metal-gate-stack => heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride}/wave-result-si-sio2.webp (100%)
 rename images/tutorials/materials/heterostructures/{heterostructure-high-k-metal-gate-stack => heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride}/wave-result-tin-slab.webp (100%)

diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/import-standata.webp b/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/import-standata.webp
similarity index 100%
rename from images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/import-standata.webp
rename to images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/import-standata.webp
diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2-hfo2.webp b/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/jl-setup-notebook-si-sio2-hfo2.webp
similarity index 100%
rename from images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2-hfo2.webp
rename to images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/jl-setup-notebook-si-sio2-hfo2.webp
diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2.webp b/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/jl-setup-notebook-si-sio2.webp
similarity index 100%
rename from images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2.webp
rename to images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/jl-setup-notebook-si-sio2.webp
diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/original-figure.webp b/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/original-figure.webp
similarity index 100%
rename from images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/original-figure.webp
rename to images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/original-figure.webp
diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-hfo2-slab-wave.webp b/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/wave-result-hfo2-slab-wave.webp
similarity index 100%
rename from images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-hfo2-slab-wave.webp
rename to images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/wave-result-hfo2-slab-wave.webp
diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2-tin.webp b/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/wave-result-si-sio2-hfo2-tin.webp
similarity index 100%
rename from images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2-tin.webp
rename to images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/wave-result-si-sio2-hfo2-tin.webp
diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2.webp b/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/wave-result-si-sio2-hfo2.webp
similarity index 100%
rename from images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2.webp
rename to images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/wave-result-si-sio2-hfo2.webp
diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2.webp b/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/wave-result-si-sio2.webp
similarity index 100%
rename from images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2.webp
rename to images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/wave-result-si-sio2.webp
diff --git a/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-tin-slab.webp b/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/wave-result-tin-slab.webp
similarity index 100%
rename from images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-tin-slab.webp
rename to images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/wave-result-tin-slab.webp
diff --git a/lang/en/docs/tutorials/materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md b/lang/en/docs/tutorials/materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md
index 972380d9..8df71b3b 100644
--- a/lang/en/docs/tutorials/materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md
+++ b/lang/en/docs/tutorials/materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md
@@ -15,7 +15,7 @@ This tutorial demonstrates how to create a high-k metal gate stack heterostructu
 
 We use the [Materials Designer](../../../materials-designer/overview.md) to create the high-k metal gate stack as shown in the figure below.
 
-![High-k Metal Gate Stack](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/original-figure.webp "High-k Metal Gate Stack")
+![High-k Metal Gate Stack](/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/original-figure.webp "High-k Metal Gate Stack")
 
 ## 1. Set Up Materials
 
@@ -26,7 +26,7 @@ First, navigate to Materials Designer and import from [Standata](../../../materi
 - Hafnium dioxide (HfO2)
 - Titanium nitride (TiN)
 
-![Standata Import](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/import-standata.webp "Standata Import")
+![Standata Import](/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/import-standata.webp "Standata Import")
 
 ## 2. Create HfO2 and TiN Slabs
 
@@ -53,7 +53,7 @@ TERMINATION_INDEX = 0
 
 Run the notebook to create the HfO2 slab and pass it to Materials Designer.
 
-![HfO2 slab](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-hfo2-slab-wave.webp "HfO2 slab")
+![HfO2 slab](/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/wave-result-hfo2-slab-wave.webp "HfO2 slab")
 
 ### 2.2. Create TiN Slab
 
@@ -73,7 +73,7 @@ TERMINATION_INDEX = 0
 
 Run the notebook to create and pass the TiN slab to Materials Designer.
 
-![TiN slab](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-tin-slab.webp "TiN slab")
+![TiN slab](/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/wave-result-tin-slab.webp "TiN slab")
 
 ## 3. Create Si/SiO2 Interface
 
@@ -108,7 +108,7 @@ TERMINATION_PAIR_INDEX = 0
 
 We set a higher tolerances to achieve smaller cell with higher strain of the film (SiO2).
 
-![Interface Setup](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2.webp "Interface Setup")
+![Interface Setup](/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/jl-setup-notebook-si-sio2.webp "Interface Setup")
 
 ### 3.2. Create Initial Interface
 
@@ -137,13 +137,13 @@ INTERFACE_VACUUM = 0.5  # Angstroms
 
 Film is the material that will be strained (scaled) to match the substrate.
 
-![HfO2 Interface Setup](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/jl-setup-notebook-si-sio2-hfo2.webp "HfO2 Interface Setup")
+![HfO2 Interface Setup](/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/jl-setup-notebook-si-sio2-hfo2.webp "HfO2 Interface Setup")
 
 ### 4.2. Add HfO2
 
 Run the notebook to add the pre-created HfO2 slab to the Si/SiO2 structure.
 
-![Si/SiO2/HfO2](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2.webp "Si/SiO2/HfO2")
+![Si/SiO2/HfO2](/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/wave-result-si-sio2-hfo2.webp "Si/SiO2/HfO2")
 
 ## 5. Add TiN Layer
 
@@ -170,7 +170,7 @@ INTERFACE_VACUUM = 10.0  # Final vacuum spacing
 
 Run the notebook to add the TiN layer and complete the stack.
 
-![Final Stack](/images/tutorials/materials/heterostructures/heterostructure-high-k-metal-gate-stack/wave-result-si-sio2-hfo2-tin.webp "Final Stack")
+![Final Stack](/images/tutorials/materials/heterostructures/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride/wave-result-si-sio2-hfo2-tin.webp "Final Stack")
 
 The user then can [save or download](../../../materials-designer/header-menu/input-output.md) the material in Material JSON format or POSCAR format.
 

From cb726aafae739d8ebe6f374908703007b07ab4ce Mon Sep 17 00:00:00 2001
From: VsevolodX <79542055+VsevolodX@users.noreply.github.com>
Date: Fri, 27 Dec 2024 12:52:13 -0800
Subject: [PATCH 11/11] chore: cleanup:

---
 ...e-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md | 1 -
 1 file changed, 1 deletion(-)

diff --git a/lang/en/docs/tutorials/materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md b/lang/en/docs/tutorials/materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md
index 8df71b3b..5c3c1e23 100644
--- a/lang/en/docs/tutorials/materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md
+++ b/lang/en/docs/tutorials/materials/specific/heterostructure-silicon-silicon-dioxide-hafnium-dioxide-titanium-nitride.md
@@ -203,4 +203,3 @@ The following JupyterLite notebook demonstrates the process of creating target m
 ## Tags
 
 `slab-creation`, `interfaces`, `high-k`, `metal-gate`, `semiconductor`, `heterostructure`, `strain-matching`, `Si`, `SiO2`, `HfO2`, `TiN`
-```
\ No newline at end of file