Anomalous structure transition in undercooled melt regulates polymorphic selection in barium titanate crystallization.

ABSTRACT: The crystallization processes of titanates are central to the fabrication of optical and electrical crystals and glasses, but their rich polymorphism is not fully understood. Here, we show when and how polymorphic selection occurs during the crystallization of barium titanate (BaTiO₃, BT) using in situ high energy synchrotron X-ray diffraction and ab initio molecular dynamic simulation. An anomalous structure transition is found in molten BT during cooling across the cubic-hexagonal transition temperature, which enables nucleation selection of BT by manipulating the undercooling: a cubic phase is preferred if nucleation is triggered at large undercooling, whereas a hexagonal phase is promoted at small undercooling. We further reveal that the nucleation selection between the cubi

SUBMITTER: Ge X 

PROVIDER: S-EPMC9814643 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature