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Four types of metal-semiconductor (MS) junctions simulated. Armchair-edge GNR (A-GNR) index is 23 and 13 for metallic and semiconducting A-GNRs, respectively. They are named as (a) two-side dogbone, (b) two-side taper, (c) one-side dogbone, and (d) one-side taper structures. Triangles (case 1) and rectangles (case 2) show positions of defects as a single lattice vacancy at the MS junction.
Conductance vs energy for the junctions shown in Fig. 1. Solid lines are for ideal structures, and dashed (case 1, triangles) and dash-dot lines (case 2, rectangles) are for the junctions in the presence of defects, as defined in Fig. 1. The dotted lines are for a uniform 13 A-GNR, which are plotted for a reference purpose.
Current flow pattern. (a) Current flow pattern within the energy range of at for a two-side dogbone structure. (b) Current flow by the first subband (within the energy range of ) of the perfect two-side dogbone structure. (c) Current flow by the first subband of the two-side dogbone structure with a single lattice vacancy (case 1 as defined in Fig. 1, shown by the triangle). (d) Current flow pattern within the energy range of at for a one-side dogbone structure. The arrows are plotted in a relative scale for comparison.
(a) Number of local states at each atomistic site (indicated by the radius of the circle) of a two-side taper structure within the energy range of . (b) The local density of states (LDOS) along the transport direction of the taper structure.
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