Fig. 1: Reconstruction of surface boron sheets.
From: Spontaneous dynamical disordering of borophenes in MgB2 and related metal borides
Energies of 2 × 2 (blue) and 4 × 4 (orange) slabs with different locally stable surface boron patterns found during the structure search, referenced to the pristine hexagonal borophene structure (blue star) and plotted against the average surface B−B coordination number. Select surface structures of interest are labeled, with corresponding structures shown at right (see Fig. 7 for LM* structure). The globally optimized LM4 structure is shown in top and side views at far right. Atom color codes: green: B, orange: Mg.
