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- W48004486 abstract "A strategy for obtaining low band gap oxide ferroelectrics based on charge imbalance is described and illustrated by first principles studies of the hypothetical compound Bi$_6$Ti$_4$O$_{17}$, which is an alternate stacking of the ferroelectric Bi$_4$Ti$_3$O$_{12}$. We find that this compound is ferroelectric, similar to Bi$_4$Ti$_3$O$_{12}$ although with a reduced polarization. Importantly, calculations of the electronic structure with the recently developed functional of Tran and Blaha yield a much reduced band gap of 1.83 eV for this material compared to Bi$_4$Ti$_3$O$_{12}$. Therefore, Bi$_6$Ti$_4$O$_{17}$ is predicted to be a low band gap ferroelectric material." @default.
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- W48004486 date "2010-11-23" @default.
- W48004486 modified "2023-09-23" @default.
- W48004486 title "First principles investigation of Bi6Ti4O17: oxide ferroelectricity with a low band gap" @default.
- W48004486 hasPublicationYear "2010" @default.
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