Real-Space Mapping of Electronic Conductivity in Complex Materials [Data set]

Description of the data and file structure This dataset provides the the structure files used in VASP POSCAR format, as well as an animation of the fluctuation of the gap in the defect free amoprhous silicon (aSi-216) model Abstract We introduce KuboMap, a real-space representation of electronic conductivity derived from the Kubo-Greenwood formula. KuboMap defines a nonnegative conductivity density whose spatial integral recovers the total conductivity and whose form is guided by Mott's picture of transport through spatially overlapping electronic states. This construction provides a direct map of the transport-active regions of a material. Applied to aluminum, KuboMap recovers an extended metallic conduction network. Applied to amorphous silicon, it distinguishes an insulating defect-free network from a defective structure in which localized near-Fermi states form connected hopping-like pathways. In silicon-oxides, it captures the loss of conduction as increasing oxygen content disrupts Silicon-rich transport networks. KuboMap provides a physically transparent route from Kubo--Greenwood conductivity to real-space transport pathways in complex materials.