diff --git a/notebook/band-theory/free_electron.ipynb b/notebook/band-theory/free_electron.ipynb index a4bf5aa..560283f 100644 --- a/notebook/band-theory/free_electron.ipynb +++ b/notebook/band-theory/free_electron.ipynb @@ -80,7 +80,7 @@ }, { "cell_type": "code", - "execution_count": 64, + "execution_count": 8, "metadata": {}, "outputs": [], "source": [ @@ -97,7 +97,7 @@ }, { "cell_type": "code", - "execution_count": 65, + "execution_count": 9, "metadata": {}, "outputs": [], "source": [ @@ -121,7 +121,7 @@ }, { "cell_type": "code", - "execution_count": 66, + "execution_count": 10, "metadata": {}, "outputs": [], "source": [ @@ -168,7 +168,7 @@ }, { "cell_type": "code", - "execution_count": 67, + "execution_count": 11, "metadata": {}, "outputs": [], "source": [ @@ -215,7 +215,7 @@ }, { "cell_type": "code", - "execution_count": 68, + "execution_count": 12, "metadata": {}, "outputs": [], "source": [ @@ -239,7 +239,7 @@ }, { "cell_type": "code", - "execution_count": 69, + "execution_count": 13, "metadata": { "tags": [] }, @@ -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\"Note that there may be a delay in the figure updating.\"))\n", + "cell_hint =HTML(value=f\"Note that there may be a delay in the figure updating.\")\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", @@ -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 }, @@ -368,22 +368,16 @@ "cell_type": "markdown", "metadata": {}, "source": [ - "
\n", - " Legend\n", + "## Legend\n", "\n", - "

\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", - "

\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" ] }, { @@ -410,7 +404,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.10.12" + "version": "3.10.9" } }, "nbformat": 4, diff --git a/notebook/band-theory/theory/theory_free_electron.ipynb b/notebook/band-theory/theory/theory_free_electron.ipynb index 05c9799..6a0a7b6 100644 --- a/notebook/band-theory/theory/theory_free_electron.ipynb +++ b/notebook/band-theory/theory/theory_free_electron.ipynb @@ -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", @@ -107,7 +107,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.10.12" + "version": "3.10.9" } }, "nbformat": 4,