First-principles study of spontaneous polarization in SrBi2Ta2O9

被引：5

作者：

Ke, Hua ^{[1
]}

Wang, Wen ^{[1
]}

Zheng, Zhenxing ^{[1
]}

Tang, Chunliu ^{[1
]}

Jia, Dechang ^{[1
]}

Lu, Zhe ^{[2
]}

Zhou, Yu ^{[1
]}

机构：

[1] Harbin Inst Technol, Sch Mat Sci & Engn, Inst Adv Ceram, Harbin 150001, Peoples R China

[2] Harbin Inst Technol, Dept Phys, Harbin 150001, Peoples R China

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2011年 / 23卷 / 01期

关键词：

THIN-FILMS; FERROELECTRIC PROPERTIES; TANTALATE; PHASE;

D O I：

10.1088/0953-8984/23/1/015901

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We investigate the spontaneous polarization in SrBi2Ta2O9 by analyzing the maximally localized Wannier functions using a first-principles method. The calculated spontaneous polarization in ferroelectric SrBi2Ta2O9 along the polarized a axis is 23.8 mu C cm(-2), with an electronic contribution of 8.4 mu C cm(-2). The electronic contribution of each atom to the spontaneous polarization in the unit cell is quantitatively evaluated. The Bi component plays the most important role in the complex chemical bonding and the total polarization. The chemical bonding in the Ta-O octahedra and bismuth oxide slabs of ferroelectric SrBi2Ta2O9 is also addressed.

引用

页数：5

共 50 条

[21] Epitaxial growth of SrBi2Ta2O9 on silicon
Schumacher, J
Martínez, JC
Martin, F
Maier, M
Adrian, H
Raiteri, R
Butt, HJ
FERROELECTRICS, 2001, 255 : 111 - 122
[22] Electronic structure of SrBi2Ta2O9 powders
Shimizu, A
Takada, S
Shimooka, H
Takahashi, S
Kohiki, S
Arai, M
Oku, M
CHEMISTRY OF MATERIALS, 2002, 14 (09) : 3971 - 3975
[23] Ferroelectric switching mechanism in SrBi2Ta2O9
Ding, Y
Liu, JS
MacLaren, I
Wang, YN
APPLIED PHYSICS LETTERS, 2001, 79 (07) : 1015 - 1017
[24] Structural characterization of SrBi2Ta2O9 thin
ChingPrado, E
Perez, W
ReynesFigueroa, A
Katiyar, RS
Ravichandran, D
Bhalla, AS
EPITAXIAL OXIDE THIN FILMS III, 1997, 474 : 49 - 54
[25] Electrical conductivity of SrBi2Ta2O9 ceramics
Kajewski, D.
Ujma, Z.
CERAMICS INTERNATIONAL, 2013, 39 (07) : 8213 - 8218
[26] Photoconductivity of SrBi2Ta2O9 thin films
Pintilie, L
Alexe, M
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 1999, 19 (6-7) : 1485 - 1488
[27] Preparation and properties of SrBi2Ta2O9 ceramics
Ashikaga Inst of Technology, Tochigi, Japan
Jpn J Appl Phys Part 1 Regul Pap Short Note Rev Pap, 9 B (5273-5276):
[28] Difference in the electronic structure of SrBi2Ta2O9 and SrBi2Nb2O9
Miura, K
Tanaka, M
JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, 1998, 37 (02): : 606 - 607
[29] Impedance study of SrBi2Ta2O9 and SrBi2(Ta0.9V0.1)2O9 ferroelectrics
Wu, Y
Forbess, MJ
Seraji, S
Limmer, SJ
Chou, TP
Cao, GZ
MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY, 2001, 86 (01): : 70 - 78
[30] Structural instabilities and sequence of phase transitions in SrBi2Nb2O9 and SrBi2Ta2O9 from first principles and Monte Carlo simulations
Petralanda, Urko
Etxebarria, I.
PHYSICAL REVIEW B, 2015, 91 (18)

← 1 2 3 4 5 →