Microscopic model of ferroelectricity in stress-free PbTiO3 ultrathin films

Ph Ghosez; K. M. Rabe

doi:10.1063/1.126469

Microscopic model of ferroelectricity in stress-free PbTiO₃ ultrathin films

Ph Ghosez, K. M. Rabe

School of Arts and Sciences, Physics & Astronomy

Research output: Contribution to journal › Article › peer-review

209 Scopus citations

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.

Original language	English (US)
Pages (from-to)	2767-2769
Number of pages	3
Journal	Applied Physics Letters
Volume	76
Issue number	19
DOIs	https://doi.org/10.1063/1.126469
State	Published - May 8 2000

All Science Journal Classification (ASJC) codes

Physics and Astronomy (miscellaneous)

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10.1063/1.126469

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title = "Microscopic model of ferroelectricity in stress-free PbTiO3 ultrathin films",

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.",

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N2 - 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.

AB - 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.

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Microscopic model of ferroelectricity in stress-free PbTiO₃ ultrathin films

Abstract

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