Fig. 3: Orbital-projected density of states of the Ti2O3-(1×2) reconstructions.
From: Direct in-situ insights into the asymmetric surface reconstruction of rutile TiO2 (110)
The occupied O 2p orbitals of the entire system, unoccupied Ti 3d orbitals of the entire system (Ti4+ and Ti3+), and the occupied Ti3+ 3d orbitals of all the Ti3+ ions in the entire system for the symmetric (a) and asymmetric (b) Ti2O3-(1×2) reconstructions are displayed by black, red, and blue lines, respectively. Energies are relative to the Fermi energy level. The vertical dashed line indicates the position of the first moment of the projected d-band density of occupied states onto the Ti3+ sites of the entire system.
