Fig. 6: Density of states from HSE of the fixed experimental monoclinic structure with degree of bond alternation of 18.9%. | npj Computational Materials

Fig. 6: Density of states from HSE of the fixed experimental monoclinic structure with degree of bond alternation of 18.9%.

From: Hidden magnetism and split off flat bands in the insulator metal transition in VO2

Fig. 6

a Nonmagnetic phase. b Paramagnetic phase as modelled by the spin-SQS structure of the 1 × 2 × 2 supercell (48-atom) of the experimental monoclinic structure. The majority states are indicated in a, b. Blue area indicates the occupied states, among them the split-off flat-band states are indicated by bold red boundary.

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