Stability and electronic properties of two-dimensional indium iodide
文献类型：期刊论文
| 作者 | Wang, Jizhang ; Dong, Baojuan ; Guo, Huaihong ; Yang, Teng ; Zhu, Zhen ; Hu, Gan ; Saito, Riichiro ; Zhang, Zhidong |
| 刊名 | PHYSICAL REVIEW B
 |
| 出版日期 | 2017-01-03 |
| 卷号 | 95期号:4页码:- |
| ISSN号 | 2469-9950 |
| 通讯作者 | Yang, T (reprint author), Univ Sci & Technol China, Sch Mat Sci & Engn, Chinese Acad Sci, Inst Met Res,Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China. ; Yang, T (reprint author), Tohoku Univ, Dept Phys, Sendai, Miyagi 9808578, Japan. |
| 中文摘要 | Based on ab initio density functional calculations, we studied the stability and electronic properties of two-dimensional indium iodide (InI). The calculated results show that monolayer and few-layer InI can be as stable as its bulk counterpart. The stability of the monolayer structure is further supported by examining the electronic and dynamic stability. The interlayer interaction is found to be fairly weak (similar to 160 meV/atom) and mechanical exfoliation to obtain monolayer and few-layer structures will be applicable. A direct band gap of 1.88 eV of the bulk structure is obtained from the hybrid functional method, and is comparable to the experimental one (similar to 2.00 eV). The electronic structure can be tuned by layer stacking and external strain. The size of the gap is a linear function of an inverse number of layers, suggesting that we can design few-layer structures for optoelectronic applications in the visible optical range. In-plane tensile or hydrostatic compressive stress is found to be useful not only in varying the gap size to cover the whole visible optical range, but also in inducing a semiconductor-metal transition with an experimentally accessible stress. The present result strongly supports the strategy of broadening the scope of group-V semiconductors by looking for isoelectronic III-VII atomic-layered materials. |
| 学科主题 | Physics, Condensed Matter |
| 收录类别 | SCI |
| 资助信息 | Major Program of Aerospace Advanced Manufacturing Technology Research Foundation NSFC, China [U1537204]; CASC, China [U1537204]; NSFC [51331006]; JSPS KAKENH Grant [JP25107005]; Liaoning Province Doctor Startup Fund [201601325]; Liaoning Shihua University [2016XJJ-044]; JSPS KAKENHI Grant [JP15K21722]; China Scholarship Council |
| 语种 | 英语 |
| 公开日期 | 2017-08-17 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/78354]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | Wang, Jizhang,Dong, Baojuan,Guo, Huaihong,et al. Stability and electronic properties of two-dimensional indium iodide[J]. PHYSICAL REVIEW B,2017,95(4):-. |
| APA | Wang, Jizhang.,Dong, Baojuan.,Guo, Huaihong.,Yang, Teng.,Zhu, Zhen.,...&Zhang, Zhidong.(2017).Stability and electronic properties of two-dimensional indium iodide.PHYSICAL REVIEW B,95(4),-. |
| MLA | Wang, Jizhang,et al."Stability and electronic properties of two-dimensional indium iodide".PHYSICAL REVIEW B 95.4(2017):-. |
入库方式： OAI收割
来源：金属研究所
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