Catégorie

Chimie organométallique

Notebooks associés (31)

Powder X-Ray Diffraction Analysis: Exploring Crystal Structures.

XRay Diffraction[1]¶ The purpose of this notebook is to study the powder XRay diffraction spectra of some systems. When the crystal is hit with an XRay wave, the wave is diffracted only for specific case where the Bragg condition is satisfied for one of the lattice planes in the material. For single crystal diffraction, the condition is satisfied only for specific orientation of the crystal, such that the incident ray has the correct

\theta

value for the plane. In powder XRay data, however, any plane ori

Illustrating Band Structures in Solids: Free Electrons and Atomic Orbitals

In [1]: import numpy as np from numpy import linalg as LA import matplotlib.pyplot as plt

from future import print_function

from ipywidgets import interact, interactive, fixed, interact_manual import ipywidgets as widgets %matplotlib widget The emergence of band structures[1]¶ If you have questions about this notebook, e-mail Oleg Malanyuk (oleg.malanyuk@epfl.ch) This jupyter notebook is intended to provide a illustration of the band structures in solides, starting from the points of v

Understanding Hund s Rules

numbers

S

L

and

J

of an isolated atom or ion from its electronic configuration. Considering a partially filled electronic shell, the following three rules have to be applied in the order given below: 1. The total spin angular momentum

S=\Sigma|m_s|

takes its maximum possible value; 2. The total orbital angular momentum

L=\Sigma|m_l|

is maximized; 3. For more than half-filled shell, the total angular momentum number

J=L+S

, otherwise

J=\vert L-S \vert

. The sl

Density of States in 2D Systems

This notebook shows evolution of density of states g(E) in 2D by considering all allowed stated in an electron shell between consequtive kx values (n and n+1). The three graphs presented are electron energy dispersion (left), allowed k states for a particular k shell (center) and the density of states g(E) (right)."

Estimation of Electron Density and Mean Free Time for Transparent Conductors

Chapter 1: Transparent Conductors[1]¶ Instruction: The purpose of this notebook is to try and find values of electron density and mean free time for a material suitable to be used as a transparent conductors. The final estimate should be the order of the two parameters to be used[2]¶ In [1]: import numpy as np from bokeh.io import push_notebook, output_notebook, show from bokeh.layouts import row, column from bokeh.plotting import figure output_notebook() from ipywidgets import interact from collect

Digital Simulation of Guitar Feedback in I Feel Fine by The Beatles

I Feel Fine, Digitally[1]¶ This notebook is a little musing inspired by the "internal mechanics" of a very famous audio snippet, namely the guitar sound at the beginning of the song "I Feel Fine", written and recorded by the Beatles in 1964. The historical significance of the record lies in the following claim by John Lennon:

 "I defy anybody to find a record... unless it is some old blues
 record from 1922... that uses feedback that way. So I claim it for
 the Beatles. Before H

Exploring Chemical Potential for Fermions in 3D at Finite Temperature

This notebook gives a simple illustration to the variation of chemical potential for Fermions in 3D, following the Fermi-Dirac statistics in finite temperature. " In 3D, we have the density of states

\\rho \\propto \\sqrt{E}

. At zero temperature, the distribution of electrons just follows

g(E)=a \\sqrt{E}

and the Fermi energy is determined by the total occupied number

N_{occ}

E_f

is the energy such that

N_{occ}=\\int_{0}^{E_f} g(E) dE

\n", " \n", "In finite temperature, however, o

Interactive Phonon Band Structure Visualization

In [1]: import numpy as np import matplotlib.pyplot as plt from matplotlib import animation from matplotlib import rc import ipywidgets as ipw from ipywidgets import interact,interactive import ipywidgets as widgets from IPython.display import HTML %matplotlib widget global global_K1 global global_K2 global global_branche global global_selected_k In [2]: def get_closest_point(clic_x,clic_y): # Get the data from the figure ax= plt.gca() # get axis handle acoustic_data = ax.lines[1] op

Basic band structure calculation using the tight-binding approximation for a 1D periodic chain with two sites per unit cell

Ce notebook fournit un exemple de base du calcul de la structure de bande pour une chaîne périodique unidimensionnelle d'atomes avec deux sites par cellule unitaire, en utilisant l'approximation de la liaison serrée. Il construit l'hamiltonien en projetant les sauts intercellulaires et intracellulaires sur les sites A et B. Le notebook permet une exploration interactive de la façon dont différents paramètres, tels que les intégrales de saut et les énergies sur site, influencent la structure de bande.

Exploring Quantization and Oversampling through One-Bit Music

One-Bit Music[1]¶ In this notebook we will talk about quantization and oversampling and we will do so by taking a trip down memory lane to revisit the early from monophonic square waves, introduce polyphony by way of pulse-width modulation and finish with the basics of sigma-delta quantization. pacman In [1]: import matplotlib import matplotlib.pyplot as plt import numpy as np import scipy.signal as sp from scipy.io import wavfile import IPython In [2]: import sys ! wget -q -O mus

Modeling and Analysis of a PN-Junction in Inhomogeneous Semiconductors.

In [1]: import matplotlib.pyplot as plt import matplotlib.ticker as mtick import numpy as np import ipywidgets as widgets import scipy.integrate as integrate from ipywidgets import interact, fixed from scipy.interpolate import interp1d from textwrap import dedent from bokeh.io import push_notebook, show, output_notebook, output_file, curdoc from bokeh.plotting import figure from bokeh.layouts import column, row from bokeh.themes import built_in_themes from bokeh.models import Range1d, BasicTickFormatter, L

Introduction to Reciprocal Lattices with Periodic Boundary Conditions.

Real vs. Reciprocal Space in 2D[1]¶ Introduction[2]¶ In this short notebook, we will introduce the lattice with periodic(Born- von Karman) boundary condition. Following the boundary condition, there is a transformation from real lattice to the reciprocal lattice. In the code below, we define a1 and a2 through cartesian vectors. Hence, the reciprocal vectors will be the original rotated by 90 degrees multiplied by 2pi and divided by the area of the unit cell (|a1xa2|) In [1]: i

Adaptive Echo Cancellation using LMS Filter

Adaptive Echo Cancellation[1]¶

                                      [2]Paolo Prandoni, [3]LCAV, EPFL

In this notebook we will use the adaptive LMS filter to estimate the impulse response of a reverberating room. A typical use case is handsfree telephony: since the received signal, amplified and played by the speaker, is picked up by the microphone, we need to eliminate it from the signal that is transmitted back in order to avoid a feedback loop. The signal picked up by the microph

Simulating Electron Motion in 2D Materials Using the Drude Model - Basic

Drude model considers electrons small solid particles traveling through lattices as a stationary array of heavier and bigger atoms. The model use "mean free time" as a measure of the frequency an electron gets scattered. This jupyter notebook makes use of this concept and uses stochastic method to simulat electrons traveling through a 2D material of finite width but infinite length."

"#### First we setup the simulation parameters such as the external electric field, number of electrons (default

Calculation and plotting of some important quantities relative to the electron s properties in a conventional TEM

::: {role="main"} ::: {.jp-Cell .jp-MarkdownCell .jp-Notebook-cell} ::: {.jp-Cell-inputWrapper tabindex="0"} ::: {.jp-Collapser .jp-InputCollapser .jp-Cell-inputCollapser} ::: ::: {.jp-InputArea .jp-Cell-inputArea} ::: {.jp-InputPrompt .jp-InputArea-prompt} ::: ::: {.jp-RenderedHTMLCommon .jp-RenderedMarkdown .jp-MarkdownOutput mime-type="text/markdown"} A typical TEM works with acceleration voltages between 80 and 300 kV ::: ::: ::: ::: ::: {.jp-Cell .jp-CodeCell .jp-Notebook-cell .jp-mod-noOutputs} ::

Simulating Electron Motion in 2D Materials Using the Drude Model - Advanced

Drude model considers electrons small solid particles traveling through lattices as a stationary array of heavier and bigger atoms. The model use "mean free time" as a measure of the frequency an electron gets scattered. This jupyter notebook makes use of this concept and uses stochastic method to simulate electrons traveling through a 2D material of finite width but infinite length."

First we setup the simulation parameters such as the external electric field, number of electrons (default to 1)

Basic Example of Anderson Localization in a 1D System

Demonstration of Anderson localization[1]¶ This notebook is intended to show a very basic example of the Anderson localization in one-dimensional system. In [1]: import numpy as np from numpy import linalg as LA import matplotlib.pyplot as plt

from future import print_function

from ipywidgets import interact, interactive, fixed, interact_manual import ipywidgets as widgets %matplotlib inline To show the idea of Anderson localization, we can consider 1D chain of

N

atoms with perio

Ewald Sphere

Ewald Sphere¶{.anchor-link} {#Ewald-Sphere}

Play with the Ewald Sphere This schematics represent the Ewald sphere for a typical high

Density of States in 1D Systems

This notebook shows density of states in 1D. Note that all graphs are cut off at Fermi Energy Ef, hence if the cut is visible on the graph consider increasing number of electrons in the system."

Wave Interference

The plotted function is the superimposition of $n$ 2d-sine functions centered in $(0,Y_i)$: $$f(x,y)=\sin\big(p\cdot\sqrt{x^2+(y-Y_i)^2}\big)$$ The parameters that can be changed are: -- $n$ the number of sources (start with 2) -- $d$ the distance between sources -- $p$ the periodicity. Higher periodicity means shorter wavelength. $p =2\pi / \lambda$. Note that in electron microscopy the usual convention is to define the wave vector as $k=1/\lambda$. -- $f$ the field o

Graph Chat

Chattez avec Graph Search

Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.

AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.

Notebooks associés (31)

Powder X-Ray Diffraction Analysis: Exploring Crystal Structures.

\theta

value for the plane. In powder XRay data, however, any plane ori

Illustrating Band Structures in Solids: Free Electrons and Atomic Orbitals

In [1]: import numpy as np from numpy import linalg as LA import matplotlib.pyplot as plt

from future import print_function

Understanding Hund s Rules

numbers

S

L

and

J

S=\Sigma|m_s|

takes its maximum possible value; 2. The total orbital angular momentum

L=\Sigma|m_l|

is maximized; 3. For more than half-filled shell, the total angular momentum number

J=L+S

, otherwise

J=\vert L-S \vert

. The sl

Density of States in 2D Systems

This notebook shows evolution of density of states g(E) in 2D by considering all allowed stated in an electron shell between consequtive kx values (n and n+1). The three graphs presented are electron energy dispersion (left), allowed k states for a particular k shell (center) and the density of states g(E) (right)."

Estimation of Electron Density and Mean Free Time for Transparent Conductors

Digital Simulation of Guitar Feedback in I Feel Fine by The Beatles

 "I defy anybody to find a record... unless it is some old blues
 record from 1922... that uses feedback that way. So I claim it for
 the Beatles. Before H

Exploring Chemical Potential for Fermions in 3D at Finite Temperature

This notebook gives a simple illustration to the variation of chemical potential for Fermions in 3D, following the Fermi-Dirac statistics in finite temperature. " In 3D, we have the density of states

\\rho \\propto \\sqrt{E}

. At zero temperature, the distribution of electrons just follows

g(E)=a \\sqrt{E}

and the Fermi energy is determined by the total occupied number

N_{occ}

E_f

is the energy such that

N_{occ}=\\int_{0}^{E_f} g(E) dE

\n", " \n", "In finite temperature, however, o

Interactive Phonon Band Structure Visualization

Basic band structure calculation using the tight-binding approximation for a 1D periodic chain with two sites per unit cell

Exploring Quantization and Oversampling through One-Bit Music

Modeling and Analysis of a PN-Junction in Inhomogeneous Semiconductors.

Introduction to Reciprocal Lattices with Periodic Boundary Conditions.

Adaptive Echo Cancellation using LMS Filter

Adaptive Echo Cancellation[1]¶

                                      [2]Paolo Prandoni, [3]LCAV, EPFL

Simulating Electron Motion in 2D Materials Using the Drude Model - Basic

Drude model considers electrons small solid particles traveling through lattices as a stationary array of heavier and bigger atoms. The model use "mean free time" as a measure of the frequency an electron gets scattered. This jupyter notebook makes use of this concept and uses stochastic method to simulat electrons traveling through a 2D material of finite width but infinite length."

"#### First we setup the simulation parameters such as the external electric field, number of electrons (default

Calculation and plotting of some important quantities relative to the electron s properties in a conventional TEM

Simulating Electron Motion in 2D Materials Using the Drude Model - Advanced

Drude model considers electrons small solid particles traveling through lattices as a stationary array of heavier and bigger atoms. The model use "mean free time" as a measure of the frequency an electron gets scattered. This jupyter notebook makes use of this concept and uses stochastic method to simulate electrons traveling through a 2D material of finite width but infinite length."

First we setup the simulation parameters such as the external electric field, number of electrons (default to 1)

Basic Example of Anderson Localization in a 1D System

from future import print_function

from ipywidgets import interact, interactive, fixed, interact_manual import ipywidgets as widgets %matplotlib inline To show the idea of Anderson localization, we can consider 1D chain of

N

atoms with perio

Ewald Sphere

Ewald Sphere¶{.anchor-link} {#Ewald-Sphere}

Play with the Ewald Sphere This schematics represent the Ewald sphere for a typical high

Density of States in 1D Systems

This notebook shows density of states in 1D. Note that all graphs are cut off at Fermi Energy Ef, hence if the cut is visible on the graph consider increasing number of electrons in the system."

Wave Interference