| 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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| 发表期刊 | CHINESE PHYSICS B
 |
| 2015-08
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| 卷号 | 24期号:8页码:86401 |
| ISSN | 1674-1056
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| 摘要 | 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. |
| 关键词 | Bending
Monolayer Black Phosphorus
Phase Transition
|
| DOI | 10.1088/1674-1056/24/8/086401
|
| URL | 查看原文
|
| 收录类别 | SCI
; EI
; CSCD
|
| 语种 | 英语
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| WOS记录号 | WOS:000361906000056
|
| 关键词[WOS] | TOTAL-ENERGY CALCULATIONS
; AUGMENTED-WAVE METHOD
; MOLECULAR-DYNAMICS
; FULLERENE TUBULES
; CARBON NANOTUBES
; BASIS-SET
; METALS
|
| WOS研究方向 | Physics
|
| WOS类目 | Physics, Multidisciplinary
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| 项目资助者 | 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).
|
| 课题组名称 | LNM固体物理力学
|
| 论文分区 | 二类/Q2
|
| 引用统计 |
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| 文献类型 | 期刊论文
|
| 条目标识符 | http://dspace.imech.ac.cn/handle/311007/58411
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| 专题 | 非线性力学国家重点实验室
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| 通讯作者 | Pan, DX (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China. |
推荐引用方式
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.
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| MLA |
Pan DX,et al."Bending-induced phase transition in monolayer black phosphorus".CHINESE PHYSICS B 24.8(2015):86401.
|
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