We investigated phonon behavior of hexagonal close packed titanium under homogeneous shear deformation corresponding to the {101ˉ2} twinning mode using first-principles calculation and phonon calculation. By this deformation, we found that a phonon mode located at a point on Brillouin zone boundary is drastically soften increasing the shear and finally it triggers a spontaneous structural transition by breaking the crystal symmetry toward twin from parent.
@article{arxiv.2003.01403,
title = {Phonon structure of titanium under shear deformation along $\{10\bar{1}2\}$ twinning mode},
author = {Atsushi Togo and Yuta Inoue and Isao Tanaka},
journal= {arXiv preprint arXiv:2003.01403},
year = {2020}
}