Tutorial on calculating phonons: comparing the linear response and the small displacement methods


1 Phonons in a crystal Consider a crystal at very low temperature and expand the potential energy function around the equilibrium positions of the nuclei. The first term of the expansion is simply the energy of the system calculated with the ions in their equilibrium positions, Eperf . If the crystal is near its minimum energy configuration the linear term… (More)


Figures and Tables

Sorry, we couldn't extract any figures or tables for this paper.

Slides referencing similar topics