Geometric ferroelectricity in fluoroperovskites

2013/11/10 by A. C. Garcia‐Castro, A. C. Garcia-Castro, Nicola A. Spaldin +5 · 70 citations
Engineering · Materials Science · Physics and Astronomy · #Acoustic Wave Resonator Technologies #Condensed matter physics #Dielectric #Epitaxy #Ferroelectric and Piezoelectric Materials #Ferroelectricity #Instability #Materials science #Multiferroics #Multiferroics and related materials #Nanotechnology #Optoelectronics #Physics #Quantum mechanics #cond-mat.mtrl-sci

paper · pdf · doi:10.1103/physrevb.89.104107

published in Physical Review B 89(10) (American Physical Society)

arxiv created 2013/11/10 · openalex publication_date 2014/03/21 · arxiv updated 2014/09/03 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/06

Abstract

The authors analyze the unusual origin of the ferroelectric instability in ABF3 fluoroperovskites using first-principles calculations, and predict that a member of this family, NaMnF3, will become multiferroic under biaxial epitaxial strain.

Citations

• Lattice dynamics ofBaTiO3,PbTiO3, andPbZrO3: A comparative first-principles study
• Why Are There so Few Magnetic Ferroelectrics?
• Coulomb interaction and ferroelectric instability of BaTiO 3
• Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
• Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides