Figure 3.

Electronic structures of carbon (A), silicon (B), and diatomic silicon carbide (C). These structures are for infinite linear atomic wires presented over the first Brillouin zone φ=kd∈[−ΠΠ. Our calculated results (continuous curves), represented by a color scheme (details in the text), are compared on the right-hand side with the first-principle results (closed circles, φ∈[0,Π) [29,69] and on the left-hand side with results calculated using Harrison TB parameters [67] (diamonds, φ∈[−Π,0]). Our calculated Fermi levels are given as the zero-reference energies, and the calculated electronic DOS in arbitrary units are presented in the right-hand column.