Ferroelectricity in the Dion-Jacobson CsBiNb 2O 7 from first principles

Craig J. Fennie, Karin M. Rabe

Research output: Contribution to journalArticlepeer-review

25 Scopus citations


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 languageEnglish (US)
Article number262902
JournalApplied Physics Letters
Issue number26
StatePublished - 2006

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy (miscellaneous)


Dive into the research topics of 'Ferroelectricity in the Dion-Jacobson CsBiNb 2O 7 from first principles'. Together they form a unique fingerprint.

Cite this