Theoretical Study on Effect of Defective Connection to Reservoirs in an Atomic-Scale Conductor

Figure 4

(a) Charge densities calculated for structures without defect and with a defect at the first, third, and fifth positions, respectively. (b) Charge densities along the interface between the cathode and conductor. The large dots indicate the position adjacent to the defect. In (a) and (b), we set , , and . (c) Charge densities along the interface between the cathode and conductor for and and various values of with the defect at the fifth site.

(a)

(b)

(c)