Figure 4. Projected band structures for low hole effective mass oxides.

The panels refer to K₂Sn₂O₃ rhombohedral (a), Tl₄V₂O₇ (b), PbTiO₃ tetragonal (c), Hg₂SO₄ (d), B₆O (e), ZrOS (f), Ca₄P₂O (g), Sb₄Cl₂O₅ (h). The band structures are computed by GGA with a rigid shift of the conduction band (scissor operator) to fit the band gap to the GW value. The colour indicates the character of the bands by projections of the wave function on the different sites. Each element in the ternary compound has one of the red, green or blue colour associated with it and the resulting colour is obtained by mixing them in proportion equivalent to the projections. The red colour is always associated with oxygen. Equivalent Figures without colour scheme but with markers are available in Supplementary Figs S24–S31.