Phase evolution and correlation between tolerance factor and electromechanical properties in BNT-based ternary perovskite compounds with calculated end-member Bi(Me0.5Ti0.5)O-3 (Me = Zn, Mg, Ni, Co)

CORC > 上海硅酸盐研究所 > 中国科学院上海硅酸盐研究所 > 无机功能材料与器件重点实验室 > 期刊论文

	Phase evolution and correlation between tolerance factor and electromechanical properties in BNT-based ternary perovskite compounds with calculated end-member Bi(Me0.5Ti0.5)O-3 (Me = Zn, Mg, Ni, Co)
	Bai, Wangfeng 1,2; Shen, Bo 1; Zhai, Jiwei 1; Liu, Feng 3; Li, Peng 1; Liu, Baihui 1; Zhang, Yang 1
刊名	DALTON TRANSACTIONS
	2016
卷号	45 期号:36 页码:14141-14153
英文摘要	In this work, the structure of end-member Bi(Me0.5Ti0.5)O-3 (Me = Zn, Ni, Mg, Co) was calculated through a first-principles method and lead-free piezoelectric ternary systems (0.94 - x)(Bi0.5Na0.5)TiO3-0.06BaTiO(3)-xBi(Me0.5Ti0.5)O-3 (Me = Zn, Ni, Mg, Co) (BNT-BT-Bi(Me0.5Ti0.5)O-3) were designed to achieve a large strain response for actuator applications. Composition-driven phase transition characteristics and the resulting associated piezoelectric and electromechanical properties were systematically investigated, and schematic phase diagrams were constructed. XRD measurements, Raman spectra analysis and temperature-dependent polarization and strain hysteresis loops indicate that Bi(Me0.5Ti0.5) O-3 substitution induces a phase transformation from a ferroelectric rhombohedral to an ergodic relaxor pseudo-cubic phase, accounting for the large strain response (> 0.3%) with a high normalized strain S-max/E-max (>= 550 pm V-1) at around the corresponding critical composition in the vicinity of room temperature. In addition, correlations between the tolerance factor t of the added end-member, the calculated tetragonality and the morphotropic phase boundary (MPB) composition were sought. In comparison to other reported BNT-based systems, there is a noticeable correlation between the MPB composition and the calculated tetragonality of the end-member Bi(Me0.5Ti0.5)O-3, and the t value corresponding to the formation of the MPB composition is approximately 0.981 in the present ternary system with low tolerance factor end-members. As a result, we believe that the general correlations and design principles obtained from the present comprehensive research will be effective to predict the approximate MPB region quickly in BNT-based ceramics with an excellent actuating performance.
WOS标题词	Science & Technology ; Physical Sciences
类目[WOS]	Chemistry, Inorganic & Nuclear
研究领域[WOS]	Chemistry
关键词[WOS]	LEAD-FREE PIEZOCERAMICS ; FREE PIEZOELECTRIC CERAMICS ; SOLID-SOLUTIONS ; LARGE-STRAIN ; TRANSITIONS ; 1ST-PRINCIPLES ; PERSPECTIVE ; BI2ZNTIO6 ; BOUNDARY
收录类别	SCI
语种	英语
WOS记录号	WOS:000384237300020
内容类型	期刊论文
源URL	[http://ir.sic.ac.cn/handle/331005/22007]
专题	上海硅酸盐研究所_无机功能材料与器件重点实验室_期刊论文
作者单位	1.Tongji Univ, Sch Mat Sci & Engn, Funct Mat Res Lab, 4800 Caoan Highway, Shanghai 201804, Peoples R China 2.Hangzhou Dianzi Univ, Coll Mat & Environm Engn, Hangzhou 310018, Zhejiang, Peoples R China 3.Chinese Acad Sci, Shanghai Inst Ceram, Key Lab Inorgan Funct Mat & Devices, Shanghai 200050, Peoples R China
推荐引用方式 GB/T 7714	Bai, Wangfeng,Shen, Bo,Zhai, Jiwei,et al. Phase evolution and correlation between tolerance factor and electromechanical properties in BNT-based ternary perovskite compounds with calculated end-member Bi(Me0.5Ti0.5)O-3 (Me = Zn, Mg, Ni, Co)[J]. DALTON TRANSACTIONS,2016,45(36):14141-14153.
APA	Bai, Wangfeng.,Shen, Bo.,Zhai, Jiwei.,Liu, Feng.,Li, Peng.,...&Zhang, Yang.(2016).Phase evolution and correlation between tolerance factor and electromechanical properties in BNT-based ternary perovskite compounds with calculated end-member Bi(Me0.5Ti0.5)O-3 (Me = Zn, Mg, Ni, Co).DALTON TRANSACTIONS,45(36),14141-14153.
MLA	Bai, Wangfeng,et al."Phase evolution and correlation between tolerance factor and electromechanical properties in BNT-based ternary perovskite compounds with calculated end-member Bi(Me0.5Ti0.5)O-3 (Me = Zn, Mg, Ni, Co)".DALTON TRANSACTIONS 45.36(2016):14141-14153.