Atomic structures of graphene-like nanomaterials including SiC and BP

Honeycomb sheet, graphene like, structure has been interested and the planar structures of silicon carbide (h-SiC), boron phosphide (h-BP) and mixed of both materials h-(SiC)_1-x(BP)_x were investigated with x values of 0.00, 0.25, 0.50, 0.75 and 1.00. The 2 atoms per unit cell of hexagonal and 4, 8 and 16 atoms per unit cell of orthorhombic configurations were used in atomic structure calculation with 1.5 nm space distance between layers of graphene like structure. The calculation is set for 500 eV energy cutoff, using local density approximation (LDA) exchange-correlation functional, 200 Ry mesh cutoff. The lattice constant was varied to evaluate the stable atomic structures together with the average bond length. Then, the band structures including energy band gap, used to determine electronic property, was calculated to guide the utilization of novel electronic device for new millennium.