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Two new phases of Si 8 C 4  and Si 4 C 8  with the P4 2 /mnm symmetry are proposed. Using first principles calculations based on density functional theory, the structural, elastic, and electronic properties of Si 8 C 4  and Si 4 C 8  are studied systematically. Both Si 8 C 4  and Si 4 C 8  are proved to be mechanically and dynamically stable. The elastic anisotropies of Si 8 C 4  and Si 4 C 8  are studied in detail. Electronic structure calculations show that Si 8 C 4  and Si 4 C 8  are indirect semiconductors with the band gap of 0.74 and 0.15 eV, respectively.

Mechanical and Electronic Properties of P4 2 /mnm Silicon Carbides