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Simulations of twisted bilayer orthorhombic black phosphorus

文献类型：期刊论文

作者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.
刊名PHYSICAL REVIEW B
出版日期2017-07-27
卷号96期号:4
ISSN号2469-9950
DOI10.1103/PhysRevB.96.041411
文献子类Article
英文摘要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.
分类号二类
URL标识查看原文
WOS关键词HEXAGONAL BORON-NITRIDE ; MOLECULAR-DYNAMICS ; TRANSPORT ; TRANSITION ; ANISOTROPY ; GRAPHENE ; PHASE ; ORDER
WOS研究方向Physics
语种英语
WOS记录号WOS:000406523600003
资助机构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)
源URL[http://dspace.imech.ac.cn/handle/311007/70032]  
专题力学研究所_非线性力学国家重点实验室
通讯作者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.
推荐引用方式
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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来源：力学研究所

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