\textit{Ab initio} study of interacting lattice vibrations and stabilization of the $\beta$-phase in Ni-Ti shape-memory alloy

Petros Souvatzis, Dominik Legut, Olle Eriksson +1

Lattice dynamical methods used to predict phase-transformations in crystals typically evaluate the harmonic phonon spectra and therefore do not work in frequent and important situa…