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

• Phonons from finite differences
• Electron-phonon interactions from Monte-Carlo sampling