Dynamic stabilization of cubic AuZn

A recently developed temperature-dependent effective potential method is employed to study the martensitic phase transformation in AuZn. This method is based on ab initio molecular dynamics and allows to obtain finite-temperature lattice vibrational properties. We show that the transversal acoustic TA2[110] mode associated with the phase transition is stabilized at 300 K. Temperature evolution of single-phonon dynamic structure factor at the wave vector q=1/3[1,1,0], associated with phonon softening and Fermi surface nesting, was also studied. © 2014 The Authors. Published by Elsevier Ltd. Selection and Peer-review under responsibility of the chairs of the International Conference on Martensitic Transformations 2014. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).