| Simulations of twisted bilayer orthorhombic black phosphorus | |
Pan DX(潘斗兴) ; Wang ZQ(王自强); Xiao, Wende; Hu, Dongmei; Yao YG(姚裕贵); Yao, YG (reprint author), Beijing Inst Technol, Lab Quantum Funct Mat Design & Applicat, Sch Phys, Beijing 100081, Peoples R China.; Wang, TC (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
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| Source Publication | PHYSICAL REVIEW B
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| 2017-07-27 | |
| Volume | 96Issue:4 |
| ISSN | 2469-9950 |
| Abstract | We identified, by means of coincidence site lattice theory, an evaluative stacking phase with a wavelike Moire pattern, denoted as 2O-t alpha P, from all potentially twisted bilayer orthorhombic black phosphorus. Such a twisted stacking comes with a low formation energy of - 162.8 meV, very close to existing AB stacking, according to first-principles calculations. Particularly, classic molecular dynamic simulations verified that the stacking can be directly obtained in an in situ cleavage. The stability of 2O-t alpha P stacking can be directly attributed to the corrugated configuration of black phosphorus leading to the van der Waals constraining forces, where the top layer can get stuck to the bottom when one layer rotates in plane relative to the other by similar to 70.5 degrees. Tribological analysis further revealed that the interlayer friction of 2O-t alpha P stacking reaches up to 1.3 nN, playing a key role in the origin of 2O-t alpha P. |
| DOI | 10.1103/PhysRevB.96.041411 |
| URL | 查看原文 |
| Indexed By | SCI |
| Language | 英语 |
| WOS ID | WOS:000406523600003 |
| WOS Keyword | HEXAGONAL BORON-NITRIDE ; MOLECULAR-DYNAMICS ; TRANSPORT ; TRANSITION ; ANISOTROPY ; GRAPHENE ; PHASE ; ORDER |
| WOS Research Area | Physics |
| WOS Subject | Physics, Condensed Matter |
| Funding Organization | NSF of China(11574029 ; MOST Project of China(2014CB920903 ; National Key R&D Program of China(2016YFA0300600) ; National Basic Research Program of China ("973" Project)(2012CB937500) ; Chinese Academy of Sciences(XDB22040503) ; 11532013 ; 2016YFA0300904) ; 51661135026 ; 11602270 ; 11602272) |
| Department | LNM固体物理力学 |
| Classification | 二类 |
| Ranking | 1 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/70032 |
| Collection | 非线性力学国家重点实验室 |
| Corresponding Author | Yao, YG (reprint author), Beijing Inst Technol, Lab Quantum Funct Mat Design & Applicat, Sch Phys, Beijing 100081, Peoples R China.; Wang, TC (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,Xiao, Wende,et al. Simulations of twisted bilayer orthorhombic black phosphorus[J]. PHYSICAL REVIEW B,2017,96,4,. |
| APA | 潘斗兴.,王自强.,Xiao, Wende.,Hu, Dongmei.,姚裕贵.,...&Wang, TC .(2017).Simulations of twisted bilayer orthorhombic black phosphorus.PHYSICAL REVIEW B,96(4). |
| MLA | 潘斗兴,et al."Simulations of twisted bilayer orthorhombic black phosphorus".PHYSICAL REVIEW B 96.4(2017). |
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| JouArt-2017-160.pdf（1421KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Download | |
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