Mechanics and Tunable Bandgap by Straining in Single-Layer Hexagonal Boron-Nitride
Abstract
Current interest in two-dimensional materials extends from graphene to others systems like single-layer hexagonal boron-nitride (h-BN), for the possibility of making heterogeneous structures to achieve exceptional properties that cannot be realized in graphene.The electrically insulating h-BN and semi-metal graphene may open good opportunities to realize a semiconductor by manipulating the morphology and composition of such heterogeneous structures.Here we report the mechanical properties of h-BN and its band structures tuned by mechanical straining by using the density functional theory calculations.The elastic properties, both the Young's modulus and bending rigidity for h-BN, are isotropic.We reveal that there is a bi-linear dependence of band gap on the applied tensile strains in h-BN. Mechanical strain can tune single-layer h-BN from an insulator to a semiconductor, with a band gap in the 4.7eV to 1.5eV range.
- Publication:
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arXiv e-prints
- Pub Date:
- January 2013
- DOI:
- 10.48550/arXiv.1301.2104
- arXiv:
- arXiv:1301.2104
- Bibcode:
- 2013arXiv1301.2104W
- Keywords:
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- Condensed Matter - Materials Science
- E-Print:
- 16 pages, 5 figures