抄録
Recently, we have reported the existence of new DHMS in lower mantle pressure conditions above about 45 GPa. This phase has MgSiO4H2 chemical composition and named as phase H. In this study, we further extends our exploration of this hydorus phase, such as the spin transition of Fe and the possibility of further phase transition of FeOOH using first principles calculation techniques and discuss the possible effects of this hydrous phase at the bottom of lower mantle.
