Simulations of twisted bilayer orthorhombic black phosphorus

doi:10.1103/PhysRevB.96.041411

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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.
发表期刊	PHYSICAL REVIEW B
	2017-07-27
卷号	96 期号:4
ISSN	2469-9950
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.
DOI	10.1103/PhysRevB.96.041411
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收录类别	SCI
语种	英语
WOS记录号	WOS:000406523600003
关键词[WOS]	HEXAGONAL BORON-NITRIDE ; MOLECULAR-DYNAMICS ; TRANSPORT ; TRANSITION ; ANISOTROPY ; GRAPHENE ; PHASE ; ORDER
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
项目资助者	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)
课题组名称	LNM固体物理力学
论文分区	二类
力学所作者排名	1
引用统计	被引频次：21[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/70032
专题	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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