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The geometry and band structures of Si thin films with nitrogen adsorption: (a) side view, (b) top view, and (c) band structures. The Si, H, and N atoms are denoted by green, white, and blue, respectively. The isosurfaces are 35% of the maximum of the density. The Fermi level is set at zero.
The PDOS of atoms for Si thin film and SiNWs with nitrogen adsorption: the dotted line shows the PDOS for the orbit, the solid line for the orbit, and the dashed line for the orbit. The Fermi level is set at zero.
The PDOS of atoms for SiNWs with nitrogen adsorption. The solid line shows the PDOS for the silicon atom in the (110) side facet and the dotted line for the silicon atom in the (100) side facet. The Fermi level is set at zero.
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