Category:Phonons
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.
Electron-phonon interaction
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.