Tunable Bandgap Opening in the Proposed Structure of Silicon Doped\n Graphene

A specific structure of doped graphene with substituted silicon impurity is\nintroduced and ab. initio density-functional approach is applied for energy\nband structure calculation of proposed structure. Using the band structure\ncalculation for different silicon sites in the host graphene, the effect of\nsilicon concentration and unit cell geometry on the bandgap of the proposed\nstructure is also investigated. Chemically silicon doped graphene results in an\nenergy gap as large as 2eV according to DFT calculations. As we will show, in\ncontrast to previous bandgap engineering methods, such structure has\nsignificant advantages including wide gap tuning capability and its negligible\ndependency on lattice geometry.\n