La-Driven Morphotrophic Phase Boundary in the Bi(Zn1/2Ti1/2)O3-La(Zn1/2Ti1/2)O3-PbTiO3 Solid Solution

被引：14

作者：

Cooper, Valentino R. ^{[1
]}

Morris, James R. ^{[1
,2
]}

Takagi, Shigeyuki ^{[3
]}

Singh, David J. ^{[1
]}

机构：

[1] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA

[2] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA

[3] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan

来源：

CHEMISTRY OF MATERIALS | 2012年 / 24卷 / 22期

关键词：

ferroelectric; piezoelectric; electronic structure; solid solution model; FERROELECTRIC-PHASE; LOCAL-STRUCTURE; POLARIZATION; PEROVSKITE; TEMPERATURE; TRANSITIONS; CRYSTAL; ORDER;

D O I：

10.1021/cm303059h

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We explore the Bi(Zn1/2Ti1/2)O-3-La(Zn1/2Ti1/2)O-3-PbTiO3 pseudoternary phase diagram using density functional theory and a solid solution model. We find a region of stability against phase segregation that contains a morphotropic phase boundary. On the basis of the results, we identify a ferroelectrically active composition-dependent region that is likely to show strong electro-mechanical response. Furthermore, we find that La replacement for Bi not only lowers the polarization as might be expected, but also shifts the balance from tetragonality toward rhombohedral distortions. This may be of general use in modifying phase diagrams of A-site driven perovskite ferroelectric solid solutions to generate new morphotropic phase boundary systems.

引用

页码：4477 / 4482

页数：6

共 34 条

[1] ATOMIC DISPLACEMENT RELATIONSHIP TO CURIE TEMPERATURE AND SPONTANEOUS POLARIZATION IN DISPLACIVE FERROELECTRICS [J].

ABRAHAMS, SC ;

KURTZ, SK ;

JAMIESON, PB .

PHYSICAL REVIEW, 1968, 172 (02) :551-&

[2] Crystallo-chemical evolution of the La2ZnTiO6 double perovskite upon reduction: A structural study [J].

Aguadero, A. ;

Alonso, J. A. ;

Martinez-Lope, M. J. ;

Fernandez-Diaz, M. T. .

SOLID STATE SCIENCES, 2011, 13 (01) :13-18

[3] Neutron powder diffraction study on the crystal and magnetic structures of BiCoO3 [J].

Belik, AA ;

Iikubo, S ;

Kodama, K ;

Igawa, N ;

Shamoto, S ;

Niitaka, S ;

Azuma, M ;

Shimakawa, Y ;

Takano, M ;

Izumi, F ;

Takayama-Muromachi, E .

CHEMISTRY OF MATERIALS, 2006, 18 (03) :798-803

[4] Electrostatic model of atomic ordering in complex perovskite alloys [J].

Bellaiche, L ;

Vanderbilt, D .

PHYSICAL REVIEW LETTERS, 1998, 81 (06) :1318-1321

[5] SPONTANEOUS (ZERO-FIELD) RELAXOR-TO-FERROELECTRIC-PHASE TRANSITION IN DISORDERED PB(SC1/2NB1/2)O-3 [J].

CHU, F ;

REANEY, IM ;

SETTER, N .

JOURNAL OF APPLIED PHYSICS, 1995, 77 (04) :1671-1676

[6] First principles prediction of a morphotropic phase boundary in the Bi(Zn1/2Ti1/2)O3-(Bi1/2Sr1/2)(Zn1/2Nb1/2)O3 alloy [J].

Cooper, Valentino R. ;

Henry, Asegun S. ;

Takagi, Shigeyuki ;

Singh, David J. .

APPLIED PHYSICS LETTERS, 2011, 98 (12)

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

Cooper, Valentino R. ;

Rabe, Karin M. .

PHYSICAL REVIEW B, 2009, 79 (18)

[8]

Cooper VR, 2002, AIP CONF PROC, V626, P26, DOI 10.1063/1.1499549

[9] Chemical order in PMN-related relaxors: structure, stability, modification, and impact on properties [J].

Davies, PK ;

Akbas, MA .

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2000, 61 (02) :159-166

[10] Preparation and Characterization of High-Temperature Ferroelectric xBi(Mg1/2Ti1/2)O3-yBi(Zn1/2Ti1/2)O3-zPbTiO3 Perovskite Ternary Solid Solution [J].

Dwivedi, Akansha ;

Qu, Weiguo ;

Randall, Clive A. .

JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2011, 94 (12) :4371-4375

← 1 2 3 4 →