A material design of a new high-performance ferroelectric. I. SrTiO2C perovskite |
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| Authors: | Taku Onishi |
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| Institution: | 1. Department of Chemistry for Materials, and The Center of Ultimate Technology on nano-Electronics, Mie University, 1577 Kurimamachiya-cho, Tsu, Mie 517-8507, Japantaku@chem.mie-u.ac.jp |
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| Abstract: | At room temperature, cubic SrTiO3 perovskite exhibits only paraelectric property, although ferroeletric properties appear in tetragonal BaTiO3 and 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. |
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| Keywords: | ferroelectric spontaneous polarisation polarisation inversion high-speed memory hybrid DFT |
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