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arXiv · 2003.01403

Phonon structure of titanium under shear deformation along $\{10\bar{1}2\}$ twinning mode

Atsushi Togo·Yuta Inoue·Isao Tanaka
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Abstract

We investigated phonon behavior of hexagonal close packed titanium under homogeneous shear deformation corresponding to the $\{10\bar{1}2\}$ 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.

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Atsushi Togo, Yuta Inoue, Isao Tanaka. 2020-03-03. Phonon structure of titanium under shear deformation along $\{10\bar{1}2\}$ twinning mode. https://doi.org/10.1103/physrevb.102.024106

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