======================== Dataset folder structure ======================== * armchair/ * N=20/ * wext=0/ * * wext=1/ * wext=2/ * ... * N=23/ * N=26/ * ... * N=80/ * round/ * zigzag/ ================= Dataset structure ================= "summary.json" -------------- * "shape": a string either "armchair", "zigzag" or "round". * "N": an integer between 20 and 80, corresponding to the width of the GNRs. * "wext": an integer corresponding to the smoothening parameter. * "tau_around_0p00_ev": a float corresponding to the preserved conductance in [G_0] at 0.00 eV. * "tau_around_0p01_ev": a float corresponding to the preserved conductance in [G_0] averaged within a 0.01 eV window around 0.00 eV. * "tau_around_0p10_ev": a float corresponding to the preserved conductance in [G_0] averaged within a 0.10 eV window around 0.00 eV. * "edge_length": an integer corresponding to the total length of the junction's edges. * "edge_sequence": a string made of "A"s, "Z"s and "X"s, corresponding to the edge structure. * "armchair_ratio": a float corresponding to the ratio of armchair edges in the edge. * "zigzag_ratio": a float corresponding to the ratio of zigzag edges in the edge. * "other_ratio": a float corresponding to the ratio of other types of edges in the edge. "conductance.csv" ----------------- * "energy": a list of floats between -0.1 and 0.1, corresponding to energies in [eV]. * "conductance_lead": a list of floats, corresponding to the conductance in [G_0] of the leads at the corresponding energies. * "conductance_junction": a list of floats, corresponding to the conductance in [G_0] of the junction at the corresponding energies. "vertices.csv" -------------- * "vertex_index": a list of integers, corresponding to the indices of the vertices. Note that these indices are related to the ones in the file **Edges**. * "vertex_x": a list of floats, corresponding to the x positions of the vertices in [sqrt(3)a]. * "vertex_y": a list of floats, corresponding to the y positions of the vertices in [a]. * "ldos": a list of floats, corresponding to the local density of states at the given vertices. "edges.csv" ----------- * "edge_index": a list of integers, corresponding to the indices of the edges * "vertex_1_index": a list of integers, corresponding to the indices of the first vertex of the edges * "vertex_2_index": a list of integers, corresponding to the indices of the second vertex of the edges * "current": a list of floats, corresponding to the probability current in [G_0] flowing through the edges. Note that if the current is negative, it means that the current is flowing from vertex 2 to vertex 1. "outline.png" ------------- * highlights the junction's outer edge in red or blue depending on if they are classified as "armchair vertices" or "zigzag vertices", respectively. "conductance.png" ----------------- * shows the transmission, where the transmission of the junction (red solid line) is plotted as a function of the energy. As a comparison, the transmission of the corresponding straight GNR (black dashed line) is also plotted. "ldos.png" ---------- * shows the local density of states (LDOS), where the circles' colors depend on the sublattice on which they are. "current.png" ------------- * shows the probability density current plot. Note that for readability, only flows greater or equal to one tenth of the maximum flow are shown.