Defect engineering for nontrivial multiferroic orders in SrTiO3
文献类型：期刊论文
| 作者 | Xu, Tao; Shimada, Takahiro; Mori, Masataka; Fujimoto, Gen; Wang, Jie; Kitamura, Takayuki |
| 刊名 | PHYSICAL REVIEW MATERIALS
 |
| 出版日期 | 2020 |
| 卷号 | 4期号:12 |
| 关键词 | FERROELECTRICITY MAGNETISM ELECTRORESISTANCE 1ST-PRINCIPLES |
| 英文摘要 | Although nanoscale multiferroics with coupled ferroelectricity and magnetism are of great technological and fundamental importance, the ferroic orders are inevitably destroyed in atomic-scale dimensions due to the intrinsic size effect or depolarization field. Here, we propose a strategy for atomic-size multiferroics by engineering the otherwise detrimental point defects in nonmagnetic paraelectric SrTiO3. Systematic exploration using first-principles and molecular dynamics simulations demonstrates that the Ti antisite (Ti-sr) defects in SrTiO3 have a tendency toward clustering with compact closure, which contributes to complex electrical polarization due to the large off-centering displacements of Ti-sr defects and the resulting separation between negative and positive charges. The Ti-sr defects also give rise to highly localized magnetic moments attributed to their unpaired spin-polarized electrons. The defect clustering and the associated multiferroic properties thus lead to atomic-size multiferroics with unusual ferroic orders. |
| 源URL | [http://ir.nimte.ac.cn/handle/174433/22378]  |
| 专题 | 中国科学院宁波材料技术与工程研究所 2020专题_期刊论文 2021专题_期刊论文 |
| 作者单位 | 1.Xu, T (corresponding author), Kyoto Univ, Dept Mech Engn & Sci, Nishikyo Ku, Kyoto 6158540, Japan. 2.Xu, T (corresponding author), Shanghai Univ, Mat Genome Inst, Shanghai 200444, Peoples R China. 3.Xu, T (corresponding author), Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Ningbo 315201, Peoples R China. |
| 推荐引用方式 GB/T 7714 | Xu, Tao,Shimada, Takahiro,Mori, Masataka,et al. Defect engineering for nontrivial multiferroic orders in SrTiO3[J]. PHYSICAL REVIEW MATERIALS,2020,4(12). |
| APA | Xu, Tao,Shimada, Takahiro,Mori, Masataka,Fujimoto, Gen,Wang, Jie,&Kitamura, Takayuki.(2020).Defect engineering for nontrivial multiferroic orders in SrTiO3.PHYSICAL REVIEW MATERIALS,4(12). |
| MLA | Xu, Tao,et al."Defect engineering for nontrivial multiferroic orders in SrTiO3".PHYSICAL REVIEW MATERIALS 4.12(2020). |
入库方式： OAI收割
来源：宁波材料技术与工程研究所
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