[17p-C302-1~7] A new era of defect research starting with field fusion

[17p-C302-3] First principles phonon calculation of strain induced structural transition for understanding deformation twinning

〇Atsushi Togo¹, Isao Tanaka^1,2 (1.Kyoto Univ. (ESISM), 2.Kyoto Univ.)

Keywords:phonon

Dynamics of atoms in crystal is understood by phonons. Pressure induced 2nd order like structural phase transition is described by the softenning of characteristic phonon mode corresponding to the order parameter. We apply this way of understanding to a strain induced 2nd order like structural phase transition and using this, we discuss the relationship between the phase transition and deformation twinning for HCP metals using first principles phonon calculation.