Structure, elastic and piezoelectric properties of a(3)bo(7) (a = ga, al; b = p, as) compounds: a dft study
文献类型：期刊论文
| 作者 | Ren, Jing1,2; Ma, Zuju1; He, Chao1; Sa, Rongjian1; Li, Qiaohong1; Wu, Kechen1 |
| 刊名 | Computational materials science
 |
| 出版日期 | 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 |
| WOS记录号 | WOS:000355559900001 |
| 出版者 | ELSEVIER SCIENCE BV |
| URI标识 | http://www.irgrid.ac.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. |
入库方式： iSwitch采集
来源：中国科学院大学
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。