Electrical properties, defect chemistry and local lattice relaxation in Nb2O5 modified 0.94(Na0.5Bi0.5)TiO3-0.06BaTiO(3) ferroelectrics

doi:10.1016/j.scriptamat.2018.07.004

	Electrical properties, defect chemistry and local lattice relaxation in Nb2O5 modified 0.94(Na0.5Bi0.5)TiO3-0.06BaTiO(3) ferroelectrics
	Zhang, Haiwu ; Yan, Hong 1; Li, Xiaobing 1; Luo, Haosu 1
刊名	SCRIPTA MATERIALIA
	2018
卷号	156 页码:32
关键词	Ferroelectricity Perovskite Defects Simulations
ISSN号	1359-6462
DOI	10.1016/j.scriptamat.2018.07.004
英文摘要	Single crystals of x at.% Nb + 0.94(Na0.5Bi0.5)TiO3-0.06BaTiO(3) (x%-Nb:NBT-6BT, x = 0.12, 0.23, and 0.48) show improved ferroelectric and piezoelectric properties. In particular, the large piezoelectric constant (d(33) = 532 pC/N) and high field-induced strains (S-max = 0.57%) in 0.23%-Nb:NBT-6BT single crystal demonstrate its promising application potential. The underlying mechanisms were investigated directively by atomistic scale simulations. We found that, Nb5+ cations prefer to substitute Ti4+ cations on B-site and will first fill up the oxygen vacancies generated due to the loss of Bi2O3 and/or Na2O. Higher concentration of Nb2O5, however, will be compensated by Ti and/or Bi vacancies. The ions positions surrounding the defect center(s) were identified. (C) 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
学科主题	Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000442190300008
资助机构	H. Zhang thanks the Alexander von Humboldt Foundation for financial support. The authors acknowledge funding by the Science and Technology Commission of Shanghai Municipality (Nos. 15441901100), the National Natural Science Foundation of China (Nos. 51332009 and Nos. 51602328) and the Instrument Developing Project of Chinese Academy of Sciences (Grant No. ZDKYYQ20180004). ; H. Zhang thanks the Alexander von Humboldt Foundation for financial support. The authors acknowledge funding by the Science and Technology Commission of Shanghai Municipality (Nos. 15441901100), the National Natural Science Foundation of China (Nos. 51332009 and Nos. 51602328) and the Instrument Developing Project of Chinese Academy of Sciences (Grant No. ZDKYYQ20180004).
内容类型	期刊论文
源URL	[http://ir.sic.ac.cn/handle/331005/24633]
专题	中国科学院上海硅酸盐研究所
作者单位	1.Rhein Westfal TH Aachen, Inst Phys Chem, D-52056 Aachen, Germany 2.Chinese Acad Sci, Shanghai Inst Ceram, Key Lab Inorgan Funct Mat & Devices, 215 Chengbei Rd, Shanghai 201800, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Haiwu,Yan, Hong,Li, Xiaobing,et al. Electrical properties, defect chemistry and local lattice relaxation in Nb2O5 modified 0.94(Na0.5Bi0.5)TiO3-0.06BaTiO(3) ferroelectrics[J]. SCRIPTA MATERIALIA,2018,156:32, 36.
APA	Zhang, Haiwu,Yan, Hong,Li, Xiaobing,&Luo, Haosu.(2018).Electrical properties, defect chemistry and local lattice relaxation in Nb2O5 modified 0.94(Na0.5Bi0.5)TiO3-0.06BaTiO(3) ferroelectrics.SCRIPTA MATERIALIA,156,32.
MLA	Zhang, Haiwu,et al."Electrical properties, defect chemistry and local lattice relaxation in Nb2O5 modified 0.94(Na0.5Bi0.5)TiO3-0.06BaTiO(3) ferroelectrics".SCRIPTA MATERIALIA 156(2018):32.