Fig. 2: Structural changes during the phase transition.
From: Driving forces for ultrafast laser-induced sp2 to sp3 structural transformation in graphite
Atomic configuration, local charge density and corresponding RDF of graphite upon laser irradiation at a 0 fs, b 160 fs, c 200 fs, and d 240 fs, respectively. Carbon pairs located at the same site in x-y plane but adjacent layers are labeled as C1 and C3, and the atom next to C3 within the same hexagon is labeled as C2. The cross-section of the charge density contour is a plane including all three atoms. The unit for charge density contour is e bohr−3. The black and blue arrows are used to indicate the characteristic peak positions of sp2 and sp3 hybridized bonds in the RDF, respectively, and the blue dashed lines represent the peak positions of HD.
