Dear,
I want to figure out that when a gate electrode is introduced to a three terminal device with positive gate bias, is the energy spectrum elevated or decreased relative to zero gate bias? Thanks very much! The version i use is 11.8 alpha. The boundary condition of poisson solver is Neumann. By the way, i found that the energy spectrum (MPSH for the molecule) of the three terminal device is very different from that of two terminal device without a gate electrode (molecular junction device). For instance, when a gate bias -1V is applied, the MPSH energy spectrum of a molecule is very weird, its lowest orbital can be -700eV. Is this reasonable?
