Designing solar-cell absorber materials through computational high-throughput screening |
(a) Crystal structures, (b) band structures, and their respective partial charge densities: (c) VBM, (d) CBM, and (e) the blue bands indicated in the band structures in panel (b). The almost linear band structure around the VBM (5% length along Γ–N and Γ–P) of skutterudite is shown in the inset of panel (b). Reprinted with permission.[ |