Finite-temperature flexoelectricity in ferroelectric thin films from first principles

被引：118

作者：

Ponomareva, I. ^{[1
]}

Tagantsev, A. K. ^{[2
]}

Bellaiche, L. ^{[3
,4
]}

机构：

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

[2] Swiss Fed Inst Technol EPFL, Ceram Lab, CH-1015 Lausanne, Switzerland

[3] Univ Arkansas, Inst Nanosci & Engn, Fayetteville, AR 72701 USA

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

来源：

PHYSICAL REVIEW B | 2012年 / 85卷 / 10期

基金：

瑞士国家科学基金会; 美国国家科学基金会;

关键词：

BARIUM STRONTIUM-TITANATE; ELECTRIC POLARIZATION;

D O I：

10.1103/PhysRevB.85.104101

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A first-principles-based effective Hamiltonian technique is developed to study flexoelectricity in (Ba0.5Sr0.5)TiO3 thin films of different thicknesses in their paraelectric phase. The magnitude as well as sign of individual components of the flexoelectric tensor are reported, which provides answers to existing controversies. The use of this numerical tool also allows us to show that flexoelectric coefficients depend strongly on the film's thickness and temperature. Such dependence is explained using the relationship between the flexoelectric coefficients and the dielectric susceptibility.

引用

页数：5

共 31 条

[1]

Bellaiche L, 2000, PHYS REV B, V61, P7877, DOI 10.1103/PhysRevB.61.7877

[2] Strain gradients in epitaxial ferroelectrics [J].