Insights on Si doping on PNRs for NDR with high PVR and diode behaviour with a high rectification ratio

摘要

This work uncovers the physics and application of APNRs by doping Silicon and Sulfur as P-type and N-type dopants. Structurally optimized 8APNRs chains were used throughout the work where the electrical properties were calculated using DFT technique. It was found that heavy doping by either P-type or N-type atoms in 8APNRs device produces NDR behaviour but only p-doped APNRs provides higher Peak to Valley Ratio (PVR). Consequently, if both the impurities were doped in an equal proportion to form a PN junction in 8APNRs, NDR occurrence was suppressed by the added opponent dopants and turned to possess rectifying behaviour. Electrical transport characteristics of 8APNRs based PN Junction diode was analyzed using NEGF formalism where a very high rectification ratio (RR) of the order of 10(12 )was observed which was much higher than what achieved in N doped AGNRs device (RR similar to 10(2)). This observation benchmarks the utilization of PNRs diodes as an ideal rectifier over GNRs.