Microscopic model of ferroelectricity in stress-free PbTiO3 ultrathin films

Ghosez, Philippe; Rabe, K. M.

doi:10.1063/1.126469

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Microscopic model of ferroelectricity in stress-free PbTiO3 ultrathin films

Ghosez, Philippe; Rabe, K. M.

2000 • In Applied Physics Letters, 76 (19), p. 2767-2769

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https://hdl.handle.net/2268/30875

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10.1063/1.126469

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Abstract :

[en] 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. (C) 2000 American Institute of Physics. [S0003- 6951(00)02119-7].

Disciplines :

Physics

Author, co-author :

Ghosez, Philippe ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux

Rabe, K. M.

Language :

English

Title :

Microscopic model of ferroelectricity in stress-free PbTiO3 ultrathin films

Publication date :

2000

Journal title :

Applied Physics Letters

ISSN :

0003-6951

eISSN :

1077-3118

Publisher :

American Institute of Physics, Melville, United States - New York

Volume :

Issue :

Pages :

2767-2769

Peer reviewed :

Peer Reviewed verified by ORBi

Available on ORBi :

since 02 December 2009

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193

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