Fig. 4: Comparison of band edge and atomic structure between next-generation WBG semiconductor candidate materials and the two best-performing WBG semiconductor materials currently known (diamond and c-BN).
a The band structures of c-BN, diamond, silicon, and four candidate materials are calculated using the HSE06 functional. The gray and red bars represent the maximum value of the valence band (VBM) and the minimum value of the conduction band (CBM), respectively. The gray and red dashed lines indicate the VBM and CBM of 4H-SiC, respectively. The light purple region shows the energy range with an extension of 1 eV above and below the CBM of 4H-SiC, respectively. b Comparisons between the properties (Ec, μ, κ, BFOM, and JFOM) of the as-screened power semiconductor materials (B2O3, z-BeO, w-BeO, and w-BN) and the best-performing WBG semiconductor materials currently known (Diamond and c-BN) using radar charts. c Top views of the lattice of diamond, c-BN, and the as-screened candidates for WBG materials, revealing distinct crystal compositions. The side views of the lattice of these materials are shown in Supplementary Fig. 2. The dashed lines in the figure represent individual unit cells of the materials.
