Effect of epitaxial strain on the properties of short-period BaTiO3/PbTiO3 superlattice from first-principles calculations

被引：6

作者：

Duan, Yifeng ^{[1
]}

Qin, Lixia ^{[1
]}

Tang, Gang ^{[1
]}

Chen, Changqing ^{[2
]}

机构：

[1] China Univ Min & Technol, Dept Phys, Xuzhou 221116, Peoples R China

[2] Tsinghua Univ, AML, Dept Engn Mech, Beijing 100084, Peoples R China

来源：

PHYSICS LETTERS A | 2010年 / 374卷 / 19-20期

基金：

中国国家自然科学基金;

关键词：

Ferroelectric superlattice; Piezoelectricity; Polarization; Epitaxial strain; Elasticity; First principles; POLARIZATION ENHANCEMENT;

D O I：

10.1016/j.physleta.2010.02.054

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Tetragonal ferroelectric/ferroelectric BaTiO3/PbTiO3 superlattice under epitaxial compressive strain is investigated from first principles. Our calculated results reveal that the appropriate epitaxial compressive strain can greatly enhance the piezoelectricity for the ferroelectric superlattice. The unexpected epitaxial strain-induced enhancement of piezoelectricity is driven by the drastic enhancement of atomic displacements along the c axis. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：2075 / 2078

页数：4

共 23 条

[1] ORIGIN OF FERROELECTRICITY IN PEROVSKITE OXIDES [J].

COHEN, RE .

NATURE, 1992, 358 (6382) :136-138

[2] Enhancing piezoelectricity through polarization-strain coupling in ferroelectric superlattices [J].

Cooper, Valentino R. ;

Rabe, Karin M. .

PHYSICAL REVIEW B, 2009, 79 (18)

[3] Influence of Uniaxial Tensile Stress on the Mechanical and Piezoelectric Properties of Short-period Ferroelectric Superlattice [J].

Duan, Yifeng ;

Wang, Chunmei ;

Tang, Gang ;

Chen, Changqing .

NANOSCALE RESEARCH LETTERS, 2010, 5 (02) :448-452

[4] Studies of tetragonal PbTiO3 subjected to uniaxial stress along the c-axis [J].

Duan, Yifeng ;

Shi, Hongliang ;

Qin, Lixia .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2008, 20 (17)

[5] Influence of in-plane biaxial stress on the structural properties, ferroelectric response, and piezoelectricity of tetragonal PbTiO3 [J].

Duan, Yifeng ;

Qin, Lixia ;

Tang, Gang ;

Chen, Changqing .

JOURNAL OF APPLIED PHYSICS, 2009, 105 (03)

[6] Abnormal ferroelectric response and enhancement of piezoelectricity of PbTiO3 under uniaxial compression [J].

Duan, Yifeng ;

Li, Jingbo ;

Li, Shu-Shen ;

Xia, Jian-Bai ;

Chen, Changqing .

JOURNAL OF APPLIED PHYSICS, 2008, 103 (08)

[7] Effect of epitaxial strain on the spontaneous polarization of thin film ferroelectrics [J].

Ederer, C ;

Spaldin, NA .

PHYSICAL REVIEW LETTERS, 2005, 95 (25)

[8] Polarization rotation mechanism for ultrahigh electromechanical response in single-crystal piezoelectrics [J].

Fu, HX ;

Cohen, RE .

NATURE, 2000, 403 (6767) :281-283

[9] First-principles computation of material properties: the ABINIT software project [J].

Gonze, X ;

Beuken, JM ;

Caracas, R ;

Detraux, F ;

Fuchs, M ;

Rignanese, GM ;

Sindic, L ;

Verstraete, M ;

Zerah, G ;

Jollet, F ;

Torrent, M ;

Roy, A ;

Mikami, M ;

Ghosez, P ;

Raty, JY ;

Allan, DC .

COMPUTATIONAL MATERIALS SCIENCE, 2002, 25 (03) :478-492

[10] Metric tensor formulation of strain in density-functional perturbation theory [J].

Hamann, DR ;

Wu, XF ;

Rabe, KM ;

Vanderbilt, D .

PHYSICAL REVIEW B, 2005, 71 (03)

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