Figure 6
From: First-Principles Predictions and Synthesis of B50C2 by Chemical Vapor Deposition
(a) Cu K-α X-ray diffraction pattern computed for the new theoretical B50C2 structure shown in the inset. (b) Electronic density of states (DOS) for the new structure showing that the Fermi level (indicated by the vertical dashed line) lies at the top of the valence band, which is well separated from the conduction band by a finite energy gap ~0.7 eV. The electronically insulating behavior also makes the structure dynamically stable.
