Lattice vibration and thermodynamical properties of a single-layer graphene in the presence of vacancy defects |
(a) Lattice structure of ideal graphene with the lattice constant a = 1.42 Å and the primitive vectors a1 and a2. The primitive cell contains two kinds of atoms labeled by A and B. (b) A supercell contains 112 atoms, with two basis vectors b1 = 12ai and |