Negative differential resistance in transport through organic molecules on silicon.

摘要: Recent scanning tunneling microscopy studies of individual organic molecules on Si(001) reported negative differential resistance (NDR) above a critical applied field, observations explained by resonant model proposed prior to the experiments. Here we use both density functional theory and many-electron $GW$ self-energy approach quantitatively assess viability this mechanism in hybrid junctions with Si. For cyclopentene $p$-type Si(001), frontier energy levels are calculated be independent electric fields, ruling out for NDR. Guidelines achieving NDR developed illustrated two related molecules, aminocyclopentene pyrroline.