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Mechanics and Mechanically Tunable Band Gap in Single-Layer Hexagonal Boron-Nitride
Wu JT(吴江涛); Wang BL(王宝林); Wei YJ(魏宇杰); Yang RG; Dresselhaus M; Wei YJ(魏宇杰)
发表期刊MATERIALS RESEARCH LETTERS
2013-07-30
卷号1期号:4页码:200-206
ISSN2166-3831
摘要

Current interest in two-dimensional materials extends from graphene to others systems such as single-layer hexagonal boron-nitride (h-BN), for the possibility of making heterogeneous structures. Here, we report mechanical properties of h-BN and its band structures tuned by straining by using the density functional theory calculations. Young’s modulus and bending rigidity for h-BN are isotropic; its failure strength and failure strain show strong anisotropy. A small fraction of antisite defects in h-BN can largely decrease its mechanical properties. We reveal that strain can tune single-layer h-BN from an insulator to a semiconductor.

关键词Hexagonal Boron-nitride Anisotropic Strength Antisite Defects Mechanical Properties Band Gap
学科领域固体力学
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收录类别SCI ; EI
语种英语
WOS记录号WOS:000209767600003
项目资助者Y.W. acknowledges the support from Chinese Academy of Sciences (CAS), MOST 973 of China (Nr. 2012CB937500), and National Natural Science Foundation of China (NSFC) (11021262, 11272327). R. Y. acknowledges the support from AFOSR (Grant No. FA9550-11-1-0109). M. D. acknowledges the support of the Solid State Solar-Thermal Energy Conversion Center (S3TEC), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number: DE-SC0001299/DE-FG02-09ER46577. All calculations are performed at the Supercomputing Center of CAS.
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力学所作者排名1
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被引频次:140[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/311007/47510
专题非线性力学国家重点实验室
通讯作者Wei YJ(魏宇杰)
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GB/T 7714
Wu JT,Wang BL,Wei YJ,et al. Mechanics and Mechanically Tunable Band Gap in Single-Layer Hexagonal Boron-Nitride[J]. MATERIALS RESEARCH LETTERS,2013,1,4,:200-206.
APA Wu JT,Wang BL,Wei YJ,Yang RG,Dresselhaus M,&魏宇杰.(2013).Mechanics and Mechanically Tunable Band Gap in Single-Layer Hexagonal Boron-Nitride.MATERIALS RESEARCH LETTERS,1(4),200-206.
MLA Wu JT,et al."Mechanics and Mechanically Tunable Band Gap in Single-Layer Hexagonal Boron-Nitride".MATERIALS RESEARCH LETTERS 1.4(2013):200-206.
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