Top panel: Top views of atom structures of AA stacked Z12 -G-BN-NR (left) and AB stacked A12 -G-BN-NR with nitride in the hexagonal center (right). The green dashed lines square the unit cells taken into account in ourcomputations. Bottom panel: Front views of the two stacked nanoribbons.
(a) Band structure of the Z 16-G-BN-NR. The Fermi level is set to zero. Vertical slices of (b) the spin density distribution, (c) the difference charge and (d) the electrostatic potential redistribution in the Z 16-G-BN-NR. (e) Variation in the energy gap as a function of ribbon width. The dashed line and solid lines are for monolayer Z-GNRs and stacked Zn -G-BN-NRs, receptively. Therein, the red and blue solid lines represent the bands belonging to the up-spin and down-spin channels, respectively.
(a) Band structure of the Z16 -G-BN-NR under external electric field E = 5 V/nm. (b) Energy gap of the layered Zn -G-BN-NRs versus transversely applied electric field. The black lines with hollow squares, red lines with circles, and blue lines with triangles represent the cases in the Z8 -GNR, Z8 -G-BN-NR, and Z16 -G-BN-NR, respectively. The solid and dashed lines stand for down-spin channel and up-spin channel, respectively.
(a) Variations of energy gaps of the An -GNRs and An -G-BN-NRs as a function of the ribbon width. (b) and (c) The corresponding electron (left) and hole (right) effective mass. The hollow symbols with dashed fitted line and solid symbols with solid fitted line represent the An -GNRs and An -G-BN-NRs, respectively. And the red, green, and blue lines represent the cases of n = 3p, 3p + 1, and 3p + 2 families, respectively, with p as an integer.
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