Theoretical phase diagram of ultrathin films of incipient ferroelectrics

被引：20

作者：

Akbarzadeh, A. R.

Bellaiche, L.

Iniguez, Jorge

Vanderbilt, David

机构：

[1] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA

[2] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA

[3] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA

[4] CSIC, ICMAB, Inst Ciencia Mat Barcelona, Bellaterra 08193, Spain

来源：

APPLIED PHYSICS LETTERS | 2007年 / 90卷 / 24期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1063/1.2748844

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

A first-principles-based scheme is used to compute the temperature-versus-misfit strain "Pertsev" phase diagram of ultrathin films of incipient ferroelectric KTaO3. The results suggest that, at variance with the bulk material, KTaO3 ultrathin films cannot be described as quantum paraelectrics. Rather, the behavior of the films is largely determined by surface/interface effects that favor ferroelectricity and the imperfect screening of the depolarizing fields. This leads to Pertsev phase diagrams that are qualitatively similar to those of normal ferroelectrics such as BaTiO3. (c) 2007 American Institute of Physics.

引用

页数：3

共 24 条

[1] Atomistic simulations of the incipient ferroelectric KTaO3 -: art. no. 054103 [J].