Graphite–hexagonal diamond hybrid with diverse properties

The recently discovered graphite–diamond hybrid materials (Gradia) with mixed sp2- and sp3-hybridizations have opened up a new direction in carbon allotropes research. Herein, we reported Gradia-HZ, constituted by interfaced graphite hexagonal diamond parts the unit cell, which demonstrates distinct electronic mechanical properties. With modulation of width, Gradia-HZ exhibits unexpected topological nodal-line semimetal, semiconductor, normal metal integrating distinctive Quasi-1D transport capability based on first-principles calculations. More interestingly, pressure-induced phase transformation might be an implementable effective method to regulate structure physical properties Gradia-HZ. discovery rich peculiar e.g., high-conductivity metals, semiconductors variable bandgap, semimetals, will arouse great research interest materials, promote their development application advanced devices.