Extended Data Fig. 4: DFT calculations and experimental electronic structures of the bulk and 2D domain wall.
From: Optical manipulation of electronic dimensionality in a quantum material
a, Charge density isosurface plot of the domain-wall bands at the Γ point. The Ti and Se atoms are shown in blue and green spheres, and the outer and inner surfaces of the density state isosurface on the domain wall are shown in purple and blue. b, Band structure of the periodic eight-layer supercell with domain wall. The px and py orbitals are projected to the three layers at the domain wall (shown in red circles); the symbol size denotes the relative weight of the orbitals. The reference bands are drawn in orange lines. c, Energy shifts of the domain-wall bands at different strengths of CDW displacements. The label ‘CDW’ means a single CDW phase, and ‘domain’ means the presence of sharp domain wall. d, Time-resolved photoemission spectra at 12 ps for pump fluences at I′ and I, as indicated in the inset to e. e, EDCs at the momentum of −0.13 Å−1 for pump fluence I′ and I, as indicated by the solid line cuts (the same colour as the corresponding EDC) in d. Inset shows the same spectra at 12 ps for sample II as that shown in Extended Data Fig. 3a. EDCs are normalized to the same height.
