The optimized geometric structure of silicene from the top view (a) and the side view (b), respectively. Also, the corresponding band structure is present in (c).
(a) The optimized crystal structure of the pristine 8-ZSiNR, (b) the band structure for AFM states, and (c) the spin density distributions of AFM state. In (a), Si and H atoms are denoted as blue and purple balls, respectively, and the red rectangular denotes the unit cell of pristine 8-ZSiNR.
(a) The different N doping positions in 8-ZSiNR, (c) the spin density distribution of N/S0. (b) and (d) are the corresponding band structures of N/S0. The black and green lines denote spin-up and spin-down channels, respectively.
The structure and spin density distribution for ZSiNR(8, 4) containing 3NV (a), 4ND (b), pyridine-like N-V Si complex (c), and (d) pyrrole-like N-V Si complex, while (e), (f), (g), and (h) are the corresponding band structures for configurations (a)–(d), respectively.
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