日時 ： ２００７年７月２７日（金）17：00〜
場所 ： 愛媛大学理学部講義棟 １０１室
要 旨
Hydrogen bond symmetrization is a structural change of hydrogen atom to the middle point of two neighboring oxygens associated with deformation of potential surface existing between two oxygens from double to single minimum under pressure. Hydrogen bond symmetrization has been reported to occur in high pressure transition from ice VIII and ice VII to ice X at 60-80 GPa. This hydrogen bond symmetrization has also been theoretically predicted to occur in d-AlOOH and phase D (MgSi2O6H2) at about 30 and 40 GPa, respectively. Ｉ have investigated using first principles techniques, the effects of hydrogen bond symmemtrization on structural, elastic and vibrational properties of high pressure polymorphs of ice, d-AlOOH and phase D
問い合わせ先：土屋 卓久 TEL （089）927-8198
E-mail takut@sci.ehime-u.ac.jp
