... transmission of the Si atomic chain.The middle part of the Si atomic chain is covered by the moleculesor atoms, which causes a sharp change in the transmission. Thenumbers of DOSs are in the order of ... density of states(LDOS). Since conduction occurs mostly near the Fermi energy, andsince in the case of gold, the s band dominates near the Fermi sur-face, the value of the LDOS for the s band of ... conductanceas a function of bias voltage. It becomes complex to identify themolecules from the overview of the G–V curves. The increase, de-crease and the positions of peaks of the G–V curves show...