Microscopic model of ferroelectricity in stress-free PbTiO3 ultrathin films

被引：195

作者：

Ghosez, P ^{[1
]}

Rabe, KM ^{[1
]}

机构：

[1] Yale Univ, Dept Appl Phys, New Haven, CT 06520 USA

来源：

APPLIED PHYSICS LETTERS | 2000年 / 76卷 / 19期

关键词：

D O I：

10.1063/1.126469

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

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].

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页码：2767 / 2769

页数：3

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