Half-metallic graphene nanodots: A comprehensive first-principles theoretical study
Half-metallic graphene nanodots: A comprehensive first-principles theoretical study
A comprehensive first-principles theoretical study of the electronic properties and half-metallic nature of finite rectangular graphene nanoribbons is presented. We identify the bisanthrene isomer of the ${\mathrm{C}}_{28}{\mathrm{H}}_{14}$ molecule to be the smallest graphene derivative to present a spin-polarized ground state. Even at this quantum dot level, the spins are predicted …