First principles calculation of the phonons modes in the hexagonal $\mathrm{YMn}{\mathrm{O}}_3$ ferroelectric and paraelectric phases

Julien Varignon, Sébastien Petit, Marie-Bernadette Lepetit

The lattice dynamics of the $\mathrm{YMn}{\mathrm{O}}_3$ magneto-electric compound has been investigated using density functional calculations, both in the ferroelectric and the paraelectric phase…