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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.
Source PublicationPHYSICAL REVIEW B
2017-07-27
Volume96Issue:4
ISSN2469-9950
AbstractWe 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.
DOI10.1103/PhysRevB.96.041411
URL查看原文
Indexed BySCI
Language英语
WOS IDWOS:000406523600003
WOS KeywordHEXAGONAL BORON-NITRIDE ; MOLECULAR-DYNAMICS ; TRANSPORT ; TRANSITION ; ANISOTROPY ; GRAPHENE ; PHASE ; ORDER
WOS Research AreaPhysics
WOS SubjectPhysics, Condensed Matter
Funding OrganizationNSF 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)
DepartmentLNM固体物理力学
Classification二类
Ranking1
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/70032
Collection非线性力学国家重点实验室
Corresponding AuthorYao, 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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