| Bending-induced phase transition in monolayer black phosphorus | |
Pan DX ; Wang ZQ(王自强); Guo WL; Pan, DX (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
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| Source Publication | CHINESE PHYSICS B
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| 2015-08 | |
| Volume | 24Issue:8Pages:86401 |
| ISSN | 1674-1056 |
| Abstract | Bending-induced phase transition in monolayer black phosphorus is investigated through first principles calculations. By wrapping the layer into nanotubes along armchair and zigzag directions with different curvatures, it is found that phase transitions of the tubes occur when radius of curvature is smaller than 5 angstrom in bending along the zigzag direction, while the tubes remain stable along the armchair direction. Small zigzag tubes with odd numbered monolayer unit cells tend to transfer toward armchair-like phases, but the tubes with even numbered monolayer unit cells transfer into new complex bonding structures. The mechanism for the bending-induced phase transition is revealed by the comprehensive analyses of the bending strain energies, electron density distributions, and band structures. The results show significant anisotropic bending stability of black phosphorus and should be helpful for its mechanical cleavage fabrication in large size. |
| Keyword | Bending Monolayer Black Phosphorus Phase Transition |
| DOI | 10.1088/1674-1056/24/8/086401 |
| URL | 查看原文 |
| Indexed By | SCI ; EI ; CSCD |
| Language | 英语 |
| WOS ID | WOS:000361906000056 |
| WOS Keyword | TOTAL-ENERGY CALCULATIONS ; AUGMENTED-WAVE METHOD ; MOLECULAR-DYNAMICS ; FULLERENE TUBULES ; CARBON NANOTUBES ; BASIS-SET ; METALS |
| WOS Research Area | Physics |
| WOS Subject | Physics, Multidisciplinary |
| Funding Organization | Project supported by the National Natural Science Foundation of China (Grant Nos. 11021262, 11172303, and 11132011) and the National Basic Research Program of China (Grant No. 2012CB937500). |
| Department | LNM固体物理力学 |
| Classification | 二类/Q2 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/58411 |
| Collection | 非线性力学国家重点实验室 |
| Corresponding Author | Pan, DX (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China. |
| Recommended Citation GB/T 7714 | Pan DX,Wang ZQ,Guo WL,et al. Bending-induced phase transition in monolayer black phosphorus[J]. CHINESE PHYSICS B,2015,24,8,:86401. |
| APA | Pan DX,王自强,Guo WL,&Pan, DX .(2015).Bending-induced phase transition in monolayer black phosphorus.CHINESE PHYSICS B,24(8),86401. |
| MLA | Pan DX,et al."Bending-induced phase transition in monolayer black phosphorus".CHINESE PHYSICS B 24.8(2015):86401. |
| Files in This Item: | Download All | |||||
| File Name/Size | DocType | Version | Access | License | ||
| J2015-052.pdf（1759KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Download | |
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