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. Author manuscript; available in PMC: 2018 Apr 11.
Published in final edited form as: ACS Nano. 2017 Jul 7;11(7):7494–7507. doi: 10.1021/acsnano.7b04031

Figure 10.

Figure 10

Analysis of the electronic properties of metallic PAL system (APC with SC = 4.56 nm and R = 1.15 nm). (a) Atomic model with edge atoms shown in green. (b) Total DOS. (c) PDOS decomposed by edge (green) and interior (purple) atoms shown in panel (a). (d) Band structure along the high-symmetry directions: armchair (Γ − X) and zigzag (Γ − Y). (e) Band decomposed charge density for the two bands in (d) near the Fermi energy. The isosurface value is 9.5 × 10−3 in units of a0−3, where a0 is the Bohr radius. (f) Spatial distribution of the band gap, which shows that most of the structure is metallic.