Physics – Condensed Matter – Materials Science
Scientific paper
1999-11-22
Physics
Condensed Matter
Materials Science
4 pages, 1 figure (revised version)
Scientific paper
10.1063/1.126469
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.
Ghosez Ph.
Rabe Karin M.
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