Diffuse phase transitions in ferroelectric ultrathin films from first principles

被引：11

作者：

Bin-Omran, S. ^{[1
]}

Kornev, I. ^{[2
]}

Ponomareva, I. ^{[3
]}

Bellaiche, L. ^{[4
]}

机构：

[1] King Saud Univ, Dept Phys & Astron, Riyadh 11451, Saudi Arabia

[2] Ecole Cent Paris, CNRS, UMR 8580, Lab SPMS, F-92295 Chatenay Malabry, France

[3] Univ S Florida, Dept Phys, Tampa, FL 33620 USA

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

来源：

PHYSICAL REVIEW B | 2010年 / 81卷 / 09期

基金：

美国国家科学基金会;

关键词：

THIN-FILMS; BATIO3; THICKNESS; PEROVSKITES; PHYSICS;

D O I：

10.1103/PhysRevB.81.094119

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A first-principles-derived scheme is developed and used to investigate the diffuse character of the paraelectric-to-ferroelectric transition in ultrathin films made of BaTiO3, and to reveal its dependency on mechanical and electrical boundary conditions, as well as on thickness. It is found that such diffuse character does not require the presence of defects to occur, unlike commonly believed, but rather can originate from surface-induced dipolar inhomogeneities in defect-free films.

引用

页数：6

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