2012/08/29 by Yong Wang, Xiaohui Liu, J. D. Burton +3 · 7 citations
Materials Science · Physics and Astronomy · #Electronic and Structural Properties of Oxides #Ferroelectric and Piezoelectric Materials #Multiferroics and related materials #cond-mat.mtrl-sci #physics.comp-ph
paper · pdf · doi:10.1103/physrevlett.109.247601
published as Phys. Rev. Lett. 109, 247601 (2012) · 4 pages, 5 figures with 5 pages of supplementary material
arxiv created 2012/08/29 · openalex publication_date 2012/12/10 · arxiv updated 2013/01/25 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01
We explore the effect of charge carrier doping on ferroelectricity using density functional calculations and phenomenological modeling. By considering a prototypical ferroelectric material, BaTiO(3), we demonstrate that ferroelectric displacements are sustained up to the critical concentration of 0.11 electron per unit cell volume. This result is consistent with experimental observations and reveals that the ferroelectric phase and conductivity can coexist. Our investigations show that the ferroelectric instability requires only a short-range portion of the Coulomb force with an interaction range of the order of the lattice constant. These results provide a new insight into the origin of ferroelectricity in displacive ferroelectrics and open opportunities for using doped ferroelectrics in novel electronic devices.