Research Article

Ab Initio Study of Electronic Transport in Cubic-HfO2 Grain Boundaries

Figure 5

Isosurfaces of the band-decomposed partial charge density for both tilt and twist GBs. The energy range for the valence states is HOMO − 1 eV (a) while the energy range for the conduction states is LUMO + 1 eV (b).
(a)
(b)