We have studied ferroelectricity in Dion-Jacobson CsBiNb 2O 7 from first principles. Using group-theoretical analysis and first-principles density functional calculations of the total energy and phonons, we perform a systematic study of the energy surface around a paraelectric prototypic phase. Our results suggest that CsBiNb 2O 7 is a ferroelectric with a polarization of P s=40 μC cm -2. We propose further experiments to clarify this point.
|Original language||English (US)|
|Journal||Applied Physics Letters|
|State||Published - 2006|
All Science Journal Classification (ASJC) codes
- Physics and Astronomy (miscellaneous)