Ferroelectric Instability Under Screened Coulomb Interactions

Authors

Yong Wang, University of Nebraska - Lincoln
Xiaohui Liu, University of Nebraska-LincolnFollow
John D. Burton, University of Nebraska-LincolnFollow
Sitaram S. Jaswal, University of Nebraska-LincolnFollow
Evgeny Y. Tsymbal, University of Nebraska-LincolnFollow

Date of this Version

12-10-2012

Citation

PHYSICAL REVIEW LETTERS 109, 247601 (2012). DOI: 10.1103/PhysRevLett.109.247601

Comments

Copyright (c) 2012 American Physical Society. Used by permission.

Abstract

We explore the effect of charge carrier doping on ferroelectricity using density functional calculations and phenomenological modeling. By considering a prototypical ferroelectric material, BaTiO₃, 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.