A Microscopic Model of Ferroelectricity in Stress-free PbTiO3 Ultrathin Films

Preprint

16 March 2000

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.cond-mat/9911354

Abstract

The ground-state polarization of PbTiO3 thin films is studied using a microscopic effective Hamiltonian with parameters obtained from first-principles calculations. Under short-circuit electrical boundary conditions, (001) films with thickness as low as three unit cells are found to have a perpendicularly polarized ferroelectric ground state with significant enhancement of the polarization at the surface.

Keywords

FILMS WITH THICKNESS
MICROSCOPIC MODEL
FERROELECTRIC
POLARIZATION
STRESS FREE
FREE PBTIO3
THIN FILMS
UNIT CELLS

All Related Versions

Version 1, 1999-11-22, ArXiv
Version 2, 1999-11-23, ArXiv
Version 3, 2000-03-16, ArXiv
Published version: Applied Physics Letters, 76 (19), 2767.

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