Tunable piezoelectric and ferroelectric responses of Al1− x Sc x N: The role of atomic arrangement
文献类型：期刊论文
| 作者 | H. Zang, Z. M. Shi, M. R. Liu, Y. P. Jia, K. Jiang, J. W. Ben, Y. Chen, S. P. Lv, X. J. Sun and D. B. Li |
| 刊名 | Science China-Physics Mechanics & Astronomy
 |
| 出版日期 | 2023 |
| 卷号 | 66期号:7页码:7 |
| ISSN号 | 1674-7348 |
| DOI | 10.1007/s11433-023-2102-8 |
| 英文摘要 | In this study, we present first-principles investigations of the atomic structure of Al1-xScxN and its influence on its piezoelectric and ferroelectric properties. The unbiased structure searching revealed that Al1-xScxN with phase separation feature, where AlN and ScN form a layered structure with different symmetries, is more stable than the corresponding wurtzite structure. The piezoelectric response of Al1-xScxN is strongly dependent on the atomic arrangements; in particular, Al0.5Sc0.5N with a wurtzite structure exhibits a large positive e(33) of 4.79 C/m(2), whereas Al0.5Sc0.5N with a phase separation structure exhibits a negative e(33) of -0.67 C/m(2). Moreover, the ferroelectric switching of Al1-xScxN demonstrated two distinct pathways for the wurtzite and phase separation structures, and the spontaneous polarization thus calculated exhibits entirely different values. Accordingly, we demonstrated that Al0.25Sc0.75N with a phase separation structure exhibits a low polarization switching barrier of 0.15 eV/f.u. and a large spontaneous polarization of -0.77 C/m(2); thus, it can serve as a novel Al1-xScxN-based ferroelectric material. As the dipoles in Al1-xScxN with a phase separation structure are localized in the AlN region, they are individually switchable at no domain wall energy cost and are stable against extrinsic effects. |
| URL标识 | 查看原文 |
| 语种 | 英语 |
| 源URL | [http://ir.ciomp.ac.cn/handle/181722/68140]  |
| 专题 | 中国科学院长春光学精密机械与物理研究所 |
| 推荐引用方式 GB/T 7714 | H. Zang, Z. M. Shi, M. R. Liu, Y. P. Jia, K. Jiang, J. W. Ben, Y. Chen, S. P. Lv, X. J. Sun and D. B. Li. Tunable piezoelectric and ferroelectric responses of Al1− x Sc x N: The role of atomic arrangement[J]. Science China-Physics Mechanics & Astronomy,2023,66(7):7. |
| APA | H. Zang, Z. M. Shi, M. R. Liu, Y. P. Jia, K. Jiang, J. W. Ben, Y. Chen, S. P. Lv, X. J. Sun and D. B. Li.(2023).Tunable piezoelectric and ferroelectric responses of Al1− x Sc x N: The role of atomic arrangement.Science China-Physics Mechanics & Astronomy,66(7),7. |
| MLA | H. Zang, Z. M. Shi, M. R. Liu, Y. P. Jia, K. Jiang, J. W. Ben, Y. Chen, S. P. Lv, X. J. Sun and D. B. Li."Tunable piezoelectric and ferroelectric responses of Al1− x Sc x N: The role of atomic arrangement".Science China-Physics Mechanics & Astronomy 66.7(2023):7. |
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