Abstract
The second-order nonlinear optical (NLO) properties of a set of hexagonal boron nitride (BN) hybrid graphene nanoribbons (h-BN-GNRs) are studied using density functional theory (DFT) methods. It is found that the β0 values of all h-BN-GNRs in our studied systems are much larger than those of the corresponding hexagonal boron nitride (BN) hybrid carbon nanotubes (h-BN-CNTs) [J. Phys. Chem. C 117 (2013) 10039]. Importantly, we find that the tradeoff of nonlinearity and transparency could be well modulated by controlling the shape, size, and hybrid position of the h-BN ribbons in GNRs.
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