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	Structure, elastic and piezoelectric properties of a(3)bo(7) (a = ga, al; b = p, as) compounds: a dft study
	Ren, Jing1,2; Ma, Zuju1; He, Chao1; Sa, Rongjian1; Li, Qiaohong1; Wu, Kechen1
刊名	Computational materials science
	2015-08-01
卷号	106页码:1-4
关键词	Piezoelectric properties Elastic properties Dfpt Bridging angle
ISSN号	0927-0256
DOI	10.1016/j.commatsci.2015.04.031
通讯作者	Wu, kechen(wkc@fjirsm.ac.cn)
英文摘要	A first-principles study of the structure, elastic and piezoelectric properties of a(3)bo(7) (a = ga, al; b = p, as) using the density functional perturbation theory (dfpt) has been performed. the structure-properties relation was established. we found that the piezoelectric constant is highly sensitive to the distortion of crystal structures. the larger a-o-b bridging angle theta is, the smaller piezoelectric stress coefficient e(15) will be. the obtained piezoelectric tensor d(15) of ga3aso7 is -23.9 pc/n, which is more than ten times larger than the d(11) of sio2. the new finding will be useful in the applications of ga3aso7 in the piezoelectric devices with high curie temperature. (c) 2015 elsevier b.v. all rights reserved.
WOS关键词	AB-INITIO ; PHASE-TRANSITIONS ; SINGLE-CRYSTALS ; GA3PO7 ; GROWTH
WOS研究方向	Materials Science
WOS类目	Materials Science, Multidisciplinary
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000355559900001
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2376635
专题	中国科学院大学
通讯作者	Wu, Kechen
作者单位	1.Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Ren, Jing,Ma, Zuju,He, Chao,et al. Structure, elastic and piezoelectric properties of a(3)bo(7) (a = ga, al; b = p, as) compounds: a dft study[J]. Computational materials science,2015,106:1-4.
APA	Ren, Jing,Ma, Zuju,He, Chao,Sa, Rongjian,Li, Qiaohong,&Wu, Kechen.(2015).Structure, elastic and piezoelectric properties of a(3)bo(7) (a = ga, al; b = p, as) compounds: a dft study.Computational materials science,106,1-4.
MLA	Ren, Jing,et al."Structure, elastic and piezoelectric properties of a(3)bo(7) (a = ga, al; b = p, as) compounds: a dft study".Computational materials science 106(2015):1-4.

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