Microscopic model of ferroelectricity in stress-free PbTiO3 ultrathin films

Ph Ghosez, K. M. Rabe

Research output: Contribution to journalArticlepeer-review

209 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)2767-2769
Number of pages3
JournalApplied Physics Letters
Issue number19
StatePublished - May 8 2000

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy (miscellaneous)


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