Electronic structure of silver doped As_2S_3

摘要

We have studied the band structure, density of states and partial density of states for pure arsenic trisulfide (As_2S_3) and silver (Ag) doped arsenic trisulfide (As_2S_3) using DFT based GGA approach. It is observed that with the introduction of silver in As_2S_3, some extra states are observed in the gap region hence modifying the semiconducting gap in As_2S_3. These extra states in the gap region are due to 4d-states of silver.