Figure 6
From: Massive Interfacial Reconstruction at Misfit Dislocations in Metal/Oxide Interfaces
Plot of average Voronoi volume of interfacial iron atoms (left) and the number of interfacial iron atoms with excess Bader charge (right) as oxygen interstitials are inserted. The Bader charge is measured relative to bulk iron. The ideal structure with no defects has eighteen iron atoms with an excess Bader charge. The number is reduced to two upon the introduction of 12 oxygen interstitials (Fe/O = 1.14).
