Category:Phonons: Difference between revisions
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Phonons are the collective excitation of nuclei in an extended periodic system. | |||
<!--To understand them we start by looking at the Taylor expansion of the total energy around the equilibrium position of the nuclei.--> | |||
The computation of the vibrational frequencies and modes using the supercell approach can be done using [[Phonons from finite differences|finite-differences]] or [[Phonons from density-functional perturbation theory | density functional perturbation theory]]. | |||
The movement of the nuclei leads to changes in the electronic degrees of freedom with this | |||
coupling between the electronic and phononic systems commonly referred to as [[Electron-phonon_interactions_theory | electron-phonon interactions]]. | |||
These interactions can be captured by perturbative methods or [[Electron-phonon_interactions_from_Monte-Carlo_sampling | Monte-Carlo sampling]] to populate a supercell with phonons and monitor how the electronic band-structure changes. | |||
== How to == | == How to == | ||
* | * [[Phonons from finite differences]] | ||
* [[Electron-phonon interactions from Monte-Carlo sampling]] | |||
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Revision as of 10:41, 19 July 2022
Phonons are the collective excitation of nuclei in an extended periodic system.
The computation of the vibrational frequencies and modes using the supercell approach can be done using finite-differences or density functional perturbation theory.
The movement of the nuclei leads to changes in the electronic degrees of freedom with this coupling between the electronic and phononic systems commonly referred to as electron-phonon interactions. These interactions can be captured by perturbative methods or Monte-Carlo sampling to populate a supercell with phonons and monitor how the electronic band-structure changes.
How to
Pages in category "Phonons"
The following 24 pages are in this category, out of 24 total.