Ferroelectricity in the Dion-Jacobson CsBiNb2O7 from first principles
Abstract
We have studied ferroelectricity in Dion-Jacobson CsBiNb2O7 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 CsBiNb2O7 is a ferroelectric with a polarization of Ps=40μC cm-2. We propose further experiments to clarify this point.
0
Turn this paper into a full lesson
ArcXiv compiles a staged curriculum from this paper: 8-12 lessons across beginner → advanced, synthesised section guides, visuals, flashcards, a quiz, exercises, and on-demand deep dives per section. Grounded in the abstract, never invented.