Regulating the Electronic Structure of Freestanding Graphene on SiC by Ge/Sn Intercalation: A Theoretical Study

Abstract

The intrinsic n-type of epitaxial graphene on SiC substrate limits its applications in microelectronic devices, and it is thus vital to modulate and achieve p-type and charge-neutral graphene. The main groups of metal intercalations, such as Ge and Sn, are found to be excellent candidates to achieve this goal based on the first-principle calculation results. They can modulate the conduction type of graphene via intercalation coverages and bring out interesting magnetic properties to the entire intercalation structures without inducing magnetism to graphene, which is superior to the transition metal intercalations, such as Fe and Mn. It is found that the Ge intercalation leads to ambipolar doping of graphene, and the p-type graphene can only be obtained when forming the Ge adatom between Ge layer and graphene. Charge-neutral graphene can be achieved under high Sn intercalation coverage (7/8 bilayer) owing to the significantly increased distance between graphene and deformed Sn intercalation. These findings would open up an avenue for developing novel graphene-based spintronic and electric devices on SiC substrate.