▎ 摘　　要

Electronic, optical and thermoelectric parameters of the Ti2N:Mn graphene sheet have been calculated by the density functional theory (DFT) framework. Our calculations were performed with full potential linear augmented plane waves plus local orbitals (FP-LAPW + lo) method and the exchange correlation potential was approximated by generalized gradient approximation (GGA). The Ti 2 N:Mn graphene sheet has anisotropic electronic behaviors indicating the magnetic property. The group velocity and effective mass in the valance band maximum (VBM) and conduction band minimum (CBM) have the high and low amounts, respectively. The optical response to the incident light in the infrared, visible area and ultraviolet edge are completely asymmetric while the optical responses at x and z directions are metallic and semiconductor, respectively. Thermoelectric parameters of Ti2N:Mn graphene have sensitivity to the external magnetic field, and the Seebeck (S) and merit coefficients (ZT) at spin up have great amounts in 150 K.