A material design of a new high-performance ferroelectric. I. SrTiO 2 C perovskite.

At room temperature, cubic SrTiO3perovskite exhibits only paraelectric property, although ferroeletric properties appear in tetragonal BaTiO3and PbTiO3. In this study, the new high-performance ferroelectric such as SrTiO2C perovskite was theoretically designed. Cluster model calculations based on hybrid density functional theory were performed to clarify a ferroelectric mechanism of SrTiO2C. It has been concluded that SrTiO2C can be utilised for a ferroelectric material of a high-speed memory, due to the extremely small polarisation-inversion energy. [ABSTRACT FROM PUBLISHER]