Skip to content

Commit

Permalink
Further modifications to text. Brought layout into standard format.
Browse files Browse the repository at this point in the history
  • Loading branch information
Taylor-96 committed Oct 10, 2023
1 parent f086a12 commit b995030
Show file tree
Hide file tree
Showing 2 changed files with 23 additions and 29 deletions.
44 changes: 19 additions & 25 deletions notebook/band-theory/free_electron.ipynb
Original file line number Diff line number Diff line change
Expand Up @@ -80,7 +80,7 @@
},
{
"cell_type": "code",
"execution_count": 64,
"execution_count": 8,
"metadata": {},
"outputs": [],
"source": [
Expand All @@ -97,7 +97,7 @@
},
{
"cell_type": "code",
"execution_count": 65,
"execution_count": 9,
"metadata": {},
"outputs": [],
"source": [
Expand All @@ -121,7 +121,7 @@
},
{
"cell_type": "code",
"execution_count": 66,
"execution_count": 10,
"metadata": {},
"outputs": [],
"source": [
Expand Down Expand Up @@ -168,7 +168,7 @@
},
{
"cell_type": "code",
"execution_count": 67,
"execution_count": 11,
"metadata": {},
"outputs": [],
"source": [
Expand Down Expand Up @@ -215,7 +215,7 @@
},
{
"cell_type": "code",
"execution_count": 68,
"execution_count": 12,
"metadata": {},
"outputs": [],
"source": [
Expand All @@ -239,7 +239,7 @@
},
{
"cell_type": "code",
"execution_count": 69,
"execution_count": 13,
"metadata": {
"tags": []
},
Expand All @@ -251,7 +251,7 @@
"\n",
"output = Output()\n",
"cell_type = RadioButtons(options=['Simple cubic', 'FCC', 'BCC'], value='Simple cubic', description=\"Cell type:\")\n",
"cell_hint =HTML(value=f\"<b>Note that there may be a delay in the figure updating.</b>\"))\n",
"cell_hint =HTML(value=f\"<b>Note that there may be a delay in the figure updating.</b>\")\n",
"nkpt = IntSlider(value=4, min=4, max=11, description=\"Number of k-point:\", style=style)\n",
"grange = IntSlider(value=0, min=0, max=3, description=\"Gvector range:\", style=style)\n",
"gcov = FloatSlider(value=0.5, min=0.1, max=1.0, description=\"Guassian covariance:\", style=style)\n",
Expand Down Expand Up @@ -342,13 +342,13 @@
},
{
"cell_type": "code",
"execution_count": 70,
"execution_count": 14,
"metadata": {},
"outputs": [
{
"data": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "0f200beb6df748f29562228c12d2eeb3",
"model_id": "8ebb0a5baa734ca5bdee2e2f3b9afe42",
"version_major": 2,
"version_minor": 0
},
Expand All @@ -368,22 +368,16 @@
"cell_type": "markdown",
"metadata": {},
"source": [
"<details open>\n",
" <summary style=\"font-size: 22px;\"><b>Legend</b></summary>\n",
"## Legend\n",
"\n",
"<p style=\"text-align: justify;font-size:15px\">\n",
" The 1st Brillouin zone of the selected cell is shown on the left. \n",
" The path along which the band structure is calculated is indicated with blue vectors and sampled\n",
" k-points are shown with red dots.\n",
" \n",
" The figure on the right shows the calculated band structure. \n",
" \n",
" We provide three kinds of cell structure: simple cubic, \n",
" face-centered cubic (FCC) and body-centered cubic (BCC). Use the radio \n",
" button to select the cell type. The number of k-points and G-vector ranges \n",
" can be tuned with the sliders.\n",
"</p>\n",
" "
"The 1st Brillouin zone of the selected cell is shown on the left. The path along which the band structure is calculated is indicated with blue vectors and sampled\n",
"k-points are shown with red dots.\n",
"\n",
"The figure on the right shows the calculated band structure. \n",
"\n",
"We provide three kinds of cell structure: simple cubic, \n",
"face-centered cubic (FCC) and body-centered cubic (BCC). Use the radio \n",
"buttons to select the cell type (note that there may be a delay while the figure is updated).\n"
]
},
{
Expand All @@ -410,7 +404,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.10.12"
"version": "3.10.9"
}
},
"nbformat": 4,
Expand Down
8 changes: 4 additions & 4 deletions notebook/band-theory/theory/theory_free_electron.ipynb
Original file line number Diff line number Diff line change
Expand Up @@ -34,14 +34,14 @@
"In the empty lattice approximation, the electrons move \"freely\" in a weak, periodic potential. Electron-electron interactions are neglected.\n",
"The eigenfunctions of the Schrödinger equation for free electrons are:\n",
"\n",
"$$\\large \\psi(\\vec{r}) = e^{i\\vec{k} \\vec{r}}$$ \n",
"$$\\large \\psi(\\vec{r}) = e^{i\\vec{k} \\cdot \\vec{r}}$$ \n",
"\n",
"When $\\vec{k}$ lies outside the 1st Brillouin zone, the plane wave \n",
"can be written as:\n",
" \n",
"$$\\large \\psi(\\vec{r}) = e^{i\\vec{k} \\vec{r}}e^{i\\vec{G} \\vec{r}} = e^{i(\\vec{k}+\\vec{G})\\vec{r}}$$ \n",
"$$\\large \\psi(\\vec{r}) = e^{i\\vec{k}\\cdot \\vec{r}}e^{i\\vec{G} \\cdot\\vec{r}} = e^{i(\\vec{k}+\\vec{G})\\cdot \\vec{r}}$$ \n",
" \n",
"where, $\\vec{k}$ vector is inside the first Brillouin zone and $\\vec{G}$ \n",
"where $\\vec{k}$ vector is inside the first Brillouin zone and $\\vec{G}$ \n",
"is a reciprocal lattice vector. The dispersion is:\n",
" \n",
"$$\\large E = \\frac{\\hbar^2(\\vec{k}+\\vec{G})^2}{2m}$$\n",
Expand Down Expand Up @@ -107,7 +107,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.10.12"
"version": "3.10.9"
}
},
"nbformat": 4,
Expand Down

0 comments on commit b995030

Please sign in to comment.