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Tunable Bandgap Opening in the Proposed Structure of Silicon Doped Graphene

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