期刊
MATERIALS RESEARCH LETTERS
卷 1, 期 4, 页码 200-206出版社
TAYLOR & FRANCIS INC
DOI: 10.1080/21663831.2013.824516
关键词
Hexagonal Boron-Nitride; Anisotropic Strength; Antisite Defects; Mechanical Properties; Band Gap
资金
- MOST 973 of China [2012CB937500]
- National Natural Science Foundation of China (NSFC) [11021262, 11272327]
- AFOSR [FA9550-11-1-0109]
- Solid State Solar-Thermal Energy Conversion Center (S3TEC), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001299/DE-FG02-09ER46577]
- Chinese Academy of Sciences (CAS)
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.
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