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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)
Source PublicationMATERIALS RESEARCH LETTERS
2013-07-30
Volume1Issue:4Pages:200-206
ISSN2166-3831
Abstract

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.

KeywordHexagonal Boron-nitride Anisotropic Strength Antisite Defects Mechanical Properties Band Gap
Subject Area固体力学
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Indexed BySCI ; EI
Language英语
WOS IDWOS:000209767600003
Funding OrganizationY.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.
Classification其他
Ranking1
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Cited Times:66[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/47510
Collection非线性力学国家重点实验室
Corresponding AuthorWei YJ(魏宇杰)
Recommended Citation
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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