Fig. 3: Distributions of photoexcited carriers on V-V dimers.
From: Photoinduced hidden monoclinic metallic phase of VO2 driven by local nucleation
a The evolution of photoexcited holes on V-V dimers at electronic excitations of 0.97% within −1.6−0 eV below the Fermi Level. The V3-V4 dimer is represented in a solid blue line, and other V-V dimers are illustrated in dashed blue lines. b, c The projected density of states (PDOS) of V3-V4 dimer (b) and other V-V dimers (c) from TDDFT simulations at different times. Red (blue) shaded areas represent the distributions of photoexcited electrons (holes). d The schematic diagram of the self-trapping and self-amplified dynamics. The red solid circles and blue hollow circles represent photoexcited electrons and holes, respectively. The movement of the V atom is shown with purple circles. The yellow shading indicates the V-O band.
